USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 814 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.137) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 HIS : no HE2:sc= -1.06 K(o=-1.1,f=-1.6) USER MOD Single : A 14 ASN : amide:sc= -1.1 K(o=-1.1,f=-5.5!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -122:sc= 0.898 USER MOD Single : A 20 GLN : amide:sc= -0.0212 X(o=-0.021,f=-0.46) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -160:sc=-0.00508 (180deg=-0.249) USER MOD Single : A 27 ASN :FLIP amide:sc= -3.68! C(o=-4.5!,f=-3.7!) USER MOD Single : A 31 ASN : amide:sc= -10.8! C(o=-11!,f=-23!) USER MOD Single : A 36 THR OG1 : rot -38:sc= 0.00111 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.162 K(o=-0.16,f=-1) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0321 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= 0.222 K(o=0.22,f=-1.4) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.707 X(o=-0.71,f=-0.71) USER MOD Single : A 58 GLN : amide:sc= -0.0904 K(o=-0.09,f=-0.71) USER MOD Single : A 60 LYS NZ :NH3+ 153:sc= -0.0708 (180deg=-0.376) USER MOD Single : A 63 GLN : amide:sc=-0.00507 X(o=-0.0051,f=-0.015) USER MOD Single : A 66 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.03) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.0526 X(o=-0.053,f=-0.23) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0.07) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN :FLIP amide:sc= 0.561 F(o=-1.8,f=0.56) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -0:sc= 1.15! USER MOD Single : A 92 GLN : amide:sc= -1.64 K(o=-1.6,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 64.874 -7.977 23.001 1.00 0.00 N ATOM 2 CA ARG A 1 63.550 -8.537 22.789 1.00 0.00 C ATOM 3 C ARG A 1 62.523 -7.417 22.612 1.00 0.00 C ATOM 4 O ARG A 1 61.881 -7.001 23.575 1.00 0.00 O ATOM 5 CB ARG A 1 63.132 -9.423 23.964 1.00 0.00 C ATOM 6 CG ARG A 1 62.963 -10.878 23.520 1.00 0.00 C ATOM 7 CD ARG A 1 64.306 -11.612 23.528 1.00 0.00 C ATOM 8 NE ARG A 1 64.154 -12.949 22.912 1.00 0.00 N ATOM 9 CZ ARG A 1 65.175 -13.663 22.391 1.00 0.00 C ATOM 10 NH1 ARG A 1 66.433 -13.171 22.407 1.00 0.00 N ATOM 11 NH2 ARG A 1 64.925 -14.848 21.866 1.00 0.00 N ATOM 0 H1 ARG A 1 65.562 -8.748 23.120 1.00 0.00 H new ATOM 0 H2 ARG A 1 65.141 -7.398 22.180 1.00 0.00 H new ATOM 0 H3 ARG A 1 64.867 -7.384 23.855 1.00 0.00 H new ATOM 0 HA ARG A 1 63.588 -9.146 21.886 1.00 0.00 H new ATOM 0 HB2 ARG A 1 63.882 -9.364 24.753 1.00 0.00 H new ATOM 0 HB3 ARG A 1 62.196 -9.057 24.386 1.00 0.00 H new ATOM 0 HG2 ARG A 1 62.263 -11.386 24.183 1.00 0.00 H new ATOM 0 HG3 ARG A 1 62.533 -10.909 22.519 1.00 0.00 H new ATOM 0 HD2 ARG A 1 65.050 -11.033 22.981 1.00 0.00 H new ATOM 0 HD3 ARG A 1 64.669 -11.713 24.551 1.00 0.00 H new ATOM 0 HE ARG A 1 63.220 -13.357 22.879 1.00 0.00 H new ATOM 0 HH11 ARG A 1 66.617 -12.254 22.815 1.00 0.00 H new ATOM 0 HH12 ARG A 1 67.199 -13.716 22.012 1.00 0.00 H new ATOM 0 HH21 ARG A 1 63.972 -15.211 21.858 1.00 0.00 H new ATOM 0 HH22 ARG A 1 65.685 -15.400 21.468 1.00 0.00 H new ATOM 24 N LYS A 2 62.399 -6.961 21.374 1.00 0.00 N ATOM 25 CA LYS A 2 61.460 -5.898 21.059 1.00 0.00 C ATOM 26 C LYS A 2 61.721 -4.704 21.979 1.00 0.00 C ATOM 27 O LYS A 2 62.620 -4.746 22.817 1.00 0.00 O ATOM 28 CB LYS A 2 60.022 -6.417 21.119 1.00 0.00 C ATOM 29 CG LYS A 2 59.549 -6.882 19.740 1.00 0.00 C ATOM 30 CD LYS A 2 58.197 -7.591 19.834 1.00 0.00 C ATOM 31 CE LYS A 2 58.377 -9.075 20.157 1.00 0.00 C ATOM 32 NZ LYS A 2 57.074 -9.696 20.484 1.00 0.00 N ATOM 0 H LYS A 2 62.933 -7.308 20.577 1.00 0.00 H new ATOM 0 HA LYS A 2 61.607 -5.552 20.036 1.00 0.00 H new ATOM 0 HB2 LYS A 2 59.959 -7.244 21.827 1.00 0.00 H new ATOM 0 HB3 LYS A 2 59.363 -5.631 21.488 1.00 0.00 H new ATOM 0 HG2 LYS A 2 59.468 -6.025 19.071 1.00 0.00 H new ATOM 0 HG3 LYS A 2 60.288 -7.556 19.307 1.00 0.00 H new ATOM 0 HD2 LYS A 2 57.588 -7.119 20.605 1.00 0.00 H new ATOM 0 HD3 LYS A 2 57.659 -7.483 18.892 1.00 0.00 H new ATOM 0 HE2 LYS A 2 58.827 -9.586 19.306 1.00 0.00 H new ATOM 0 HE3 LYS A 2 59.062 -9.190 20.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 57.214 -10.703 20.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 56.659 -9.219 21.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 56.431 -9.603 19.672 1.00 0.00 H new ATOM 45 N LEU A 3 60.919 -3.666 21.792 1.00 0.00 N ATOM 46 CA LEU A 3 61.052 -2.462 22.594 1.00 0.00 C ATOM 47 C LEU A 3 62.431 -1.845 22.355 1.00 0.00 C ATOM 48 O LEU A 3 63.422 -2.562 22.224 1.00 0.00 O ATOM 49 CB LEU A 3 60.760 -2.765 24.066 1.00 0.00 C ATOM 50 CG LEU A 3 61.983 -2.945 24.968 1.00 0.00 C ATOM 51 CD1 LEU A 3 62.283 -1.663 25.747 1.00 0.00 C ATOM 52 CD2 LEU A 3 61.807 -4.151 25.894 1.00 0.00 C ATOM 0 H LEU A 3 60.174 -3.634 21.096 1.00 0.00 H new ATOM 0 HA LEU A 3 60.314 -1.719 22.292 1.00 0.00 H new ATOM 0 HB2 LEU A 3 60.151 -1.956 24.469 1.00 0.00 H new ATOM 0 HB3 LEU A 3 60.158 -3.672 24.117 1.00 0.00 H new ATOM 0 HG LEU A 3 62.848 -3.147 24.336 1.00 0.00 H new ATOM 0 HD11 LEU A 3 63.157 -1.818 26.380 1.00 0.00 H new ATOM 0 HD12 LEU A 3 62.481 -0.850 25.048 1.00 0.00 H new ATOM 0 HD13 LEU A 3 61.425 -1.406 26.369 1.00 0.00 H new ATOM 0 HD21 LEU A 3 62.690 -4.257 26.525 1.00 0.00 H new ATOM 0 HD22 LEU A 3 60.928 -4.003 26.522 1.00 0.00 H new ATOM 0 HD23 LEU A 3 61.678 -5.053 25.296 1.00 0.00 H new ATOM 64 N GLU A 4 62.450 -0.521 22.305 1.00 0.00 N ATOM 65 CA GLU A 4 63.691 0.201 22.084 1.00 0.00 C ATOM 66 C GLU A 4 64.167 0.852 23.385 1.00 0.00 C ATOM 67 O GLU A 4 65.357 1.111 23.555 1.00 0.00 O ATOM 68 CB GLU A 4 63.529 1.245 20.977 1.00 0.00 C ATOM 69 CG GLU A 4 62.344 2.169 21.264 1.00 0.00 C ATOM 70 CD GLU A 4 61.088 1.694 20.531 1.00 0.00 C ATOM 71 OE1 GLU A 4 61.034 1.748 19.293 1.00 0.00 O ATOM 72 OE2 GLU A 4 60.144 1.255 21.294 1.00 0.00 O ATOM 0 H GLU A 4 61.626 0.070 22.414 1.00 0.00 H new ATOM 0 HA GLU A 4 64.449 -0.512 21.759 1.00 0.00 H new ATOM 0 HB2 GLU A 4 64.442 1.834 20.892 1.00 0.00 H new ATOM 0 HB3 GLU A 4 63.382 0.745 20.020 1.00 0.00 H new ATOM 0 HG2 GLU A 4 62.154 2.199 22.337 1.00 0.00 H new ATOM 0 HG3 GLU A 4 62.588 3.185 20.954 1.00 0.00 H new ATOM 80 N LEU A 5 63.211 1.096 24.270 1.00 0.00 N ATOM 81 CA LEU A 5 63.517 1.711 25.550 1.00 0.00 C ATOM 82 C LEU A 5 64.728 1.012 26.170 1.00 0.00 C ATOM 83 O LEU A 5 64.658 -0.165 26.521 1.00 0.00 O ATOM 84 CB LEU A 5 62.281 1.715 26.451 1.00 0.00 C ATOM 85 CG LEU A 5 62.472 2.306 27.850 1.00 0.00 C ATOM 86 CD1 LEU A 5 61.233 3.088 28.289 1.00 0.00 C ATOM 87 CD2 LEU A 5 62.851 1.219 28.858 1.00 0.00 C ATOM 0 H LEU A 5 62.225 0.879 24.126 1.00 0.00 H new ATOM 0 HA LEU A 5 63.788 2.758 25.415 1.00 0.00 H new ATOM 0 HB2 LEU A 5 61.491 2.272 25.948 1.00 0.00 H new ATOM 0 HB3 LEU A 5 61.930 0.689 26.557 1.00 0.00 H new ATOM 0 HG LEU A 5 63.301 3.012 27.812 1.00 0.00 H new ATOM 0 HD11 LEU A 5 61.395 3.497 29.286 1.00 0.00 H new ATOM 0 HD12 LEU A 5 61.049 3.902 27.588 1.00 0.00 H new ATOM 0 HD13 LEU A 5 60.370 2.423 28.306 1.00 0.00 H new ATOM 0 HD21 LEU A 5 62.981 1.666 29.844 1.00 0.00 H new ATOM 0 HD22 LEU A 5 62.060 0.470 28.900 1.00 0.00 H new ATOM 0 HD23 LEU A 5 63.783 0.745 28.549 1.00 0.00 H new ATOM 99 N THR A 6 65.811 1.767 26.287 1.00 0.00 N ATOM 100 CA THR A 6 67.036 1.234 26.859 1.00 0.00 C ATOM 101 C THR A 6 68.083 2.341 27.003 1.00 0.00 C ATOM 102 O THR A 6 68.262 3.152 26.096 1.00 0.00 O ATOM 103 CB THR A 6 67.500 0.069 25.982 1.00 0.00 C ATOM 104 OG1 THR A 6 68.617 -0.470 26.684 1.00 0.00 O ATOM 105 CG2 THR A 6 68.089 0.538 24.649 1.00 0.00 C ATOM 0 H THR A 6 65.865 2.743 25.996 1.00 0.00 H new ATOM 0 HA THR A 6 66.869 0.854 27.867 1.00 0.00 H new ATOM 0 HB THR A 6 66.660 -0.600 25.793 1.00 0.00 H new ATOM 0 HG1 THR A 6 68.980 -1.232 26.186 1.00 0.00 H new ATOM 0 HG21 THR A 6 68.403 -0.327 24.065 1.00 0.00 H new ATOM 0 HG22 THR A 6 67.335 1.096 24.094 1.00 0.00 H new ATOM 0 HG23 THR A 6 68.950 1.180 24.837 1.00 0.00 H new ATOM 113 N LYS A 7 68.747 2.338 28.149 1.00 0.00 N ATOM 114 CA LYS A 7 69.771 3.332 28.424 1.00 0.00 C ATOM 115 C LYS A 7 69.445 4.618 27.662 1.00 0.00 C ATOM 116 O LYS A 7 70.042 4.897 26.623 1.00 0.00 O ATOM 117 CB LYS A 7 71.160 2.769 28.114 1.00 0.00 C ATOM 118 CG LYS A 7 71.243 1.284 28.474 1.00 0.00 C ATOM 119 CD LYS A 7 72.437 1.008 29.389 1.00 0.00 C ATOM 120 CE LYS A 7 73.728 0.871 28.579 1.00 0.00 C ATOM 121 NZ LYS A 7 74.425 2.174 28.491 1.00 0.00 N ATOM 0 H LYS A 7 68.596 1.663 28.898 1.00 0.00 H new ATOM 0 HA LYS A 7 69.783 3.584 29.484 1.00 0.00 H new ATOM 0 HB2 LYS A 7 71.383 2.903 27.055 1.00 0.00 H new ATOM 0 HB3 LYS A 7 71.914 3.325 28.671 1.00 0.00 H new ATOM 0 HG2 LYS A 7 70.322 0.974 28.968 1.00 0.00 H new ATOM 0 HG3 LYS A 7 71.332 0.690 27.564 1.00 0.00 H new ATOM 0 HD2 LYS A 7 72.541 1.818 30.111 1.00 0.00 H new ATOM 0 HD3 LYS A 7 72.261 0.094 29.957 1.00 0.00 H new ATOM 0 HE2 LYS A 7 74.381 0.133 29.046 1.00 0.00 H new ATOM 0 HE3 LYS A 7 73.499 0.506 27.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 75.367 2.036 28.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 73.873 2.823 27.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 74.525 2.579 29.444 1.00 0.00 H new ATOM 134 N ALA A 8 68.497 5.367 28.207 1.00 0.00 N ATOM 135 CA ALA A 8 68.085 6.617 27.592 1.00 0.00 C ATOM 136 C ALA A 8 69.108 7.705 27.921 1.00 0.00 C ATOM 137 O ALA A 8 69.043 8.807 27.380 1.00 0.00 O ATOM 138 CB ALA A 8 66.676 6.978 28.067 1.00 0.00 C ATOM 0 H ALA A 8 68.003 5.132 29.068 1.00 0.00 H new ATOM 0 HA ALA A 8 68.049 6.518 26.507 1.00 0.00 H new ATOM 0 HB1 ALA A 8 66.366 7.916 27.606 1.00 0.00 H new ATOM 0 HB2 ALA A 8 65.982 6.187 27.782 1.00 0.00 H new ATOM 0 HB3 ALA A 8 66.675 7.089 29.151 1.00 0.00 H new ATOM 144 N GLU A 9 70.030 7.357 28.808 1.00 0.00 N ATOM 145 CA GLU A 9 71.066 8.290 29.216 1.00 0.00 C ATOM 146 C GLU A 9 70.453 9.655 29.539 1.00 0.00 C ATOM 147 O GLU A 9 69.459 9.738 30.258 1.00 0.00 O ATOM 148 CB GLU A 9 72.146 8.415 28.139 1.00 0.00 C ATOM 149 CG GLU A 9 72.648 7.037 27.704 1.00 0.00 C ATOM 150 CD GLU A 9 73.031 7.036 26.222 1.00 0.00 C ATOM 151 OE1 GLU A 9 72.150 7.131 25.354 1.00 0.00 O ATOM 152 OE2 GLU A 9 74.295 6.933 25.986 1.00 0.00 O ATOM 0 H GLU A 9 70.080 6.442 29.255 1.00 0.00 H new ATOM 0 HA GLU A 9 71.541 7.904 30.118 1.00 0.00 H new ATOM 0 HB2 GLU A 9 71.745 8.949 27.277 1.00 0.00 H new ATOM 0 HB3 GLU A 9 72.979 9.006 28.521 1.00 0.00 H new ATOM 0 HG2 GLU A 9 73.511 6.753 28.307 1.00 0.00 H new ATOM 0 HG3 GLU A 9 71.874 6.291 27.884 1.00 0.00 H new ATOM 160 N LYS A 10 71.073 10.690 28.992 1.00 0.00 N ATOM 161 CA LYS A 10 70.602 12.047 29.213 1.00 0.00 C ATOM 162 C LYS A 10 69.599 12.419 28.119 1.00 0.00 C ATOM 163 O LYS A 10 69.585 13.554 27.645 1.00 0.00 O ATOM 164 CB LYS A 10 71.782 13.014 29.320 1.00 0.00 C ATOM 165 CG LYS A 10 72.722 12.867 28.121 1.00 0.00 C ATOM 166 CD LYS A 10 73.053 14.231 27.514 1.00 0.00 C ATOM 167 CE LYS A 10 74.216 14.894 28.256 1.00 0.00 C ATOM 168 NZ LYS A 10 75.210 15.423 27.295 1.00 0.00 N ATOM 0 H LYS A 10 71.898 10.616 28.396 1.00 0.00 H new ATOM 0 HA LYS A 10 70.076 12.117 30.165 1.00 0.00 H new ATOM 0 HB2 LYS A 10 71.414 14.038 29.374 1.00 0.00 H new ATOM 0 HB3 LYS A 10 72.331 12.823 30.242 1.00 0.00 H new ATOM 0 HG2 LYS A 10 73.641 12.371 28.434 1.00 0.00 H new ATOM 0 HG3 LYS A 10 72.258 12.232 27.366 1.00 0.00 H new ATOM 0 HD2 LYS A 10 73.309 14.112 26.461 1.00 0.00 H new ATOM 0 HD3 LYS A 10 72.175 14.875 27.557 1.00 0.00 H new ATOM 0 HE2 LYS A 10 73.841 15.703 28.883 1.00 0.00 H new ATOM 0 HE3 LYS A 10 74.691 14.171 28.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 75.992 15.869 27.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 75.580 14.644 26.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 74.757 16.128 26.679 1.00 0.00 H new ATOM 181 N HIS A 11 68.786 11.441 27.749 1.00 0.00 N ATOM 182 CA HIS A 11 67.783 11.651 26.719 1.00 0.00 C ATOM 183 C HIS A 11 66.531 10.834 27.047 1.00 0.00 C ATOM 184 O HIS A 11 66.443 10.227 28.113 1.00 0.00 O ATOM 185 CB HIS A 11 68.351 11.334 25.334 1.00 0.00 C ATOM 186 CG HIS A 11 69.166 12.455 24.734 1.00 0.00 C ATOM 187 ND1 HIS A 11 68.591 13.551 24.114 1.00 0.00 N ATOM 188 CD2 HIS A 11 70.516 12.639 24.666 1.00 0.00 C ATOM 189 CE1 HIS A 11 69.561 14.351 23.695 1.00 0.00 C ATOM 190 NE2 HIS A 11 70.753 13.783 24.038 1.00 0.00 N ATOM 0 H HIS A 11 68.801 10.501 28.144 1.00 0.00 H new ATOM 0 HA HIS A 11 67.494 12.702 26.698 1.00 0.00 H new ATOM 0 HB2 HIS A 11 68.974 10.442 25.403 1.00 0.00 H new ATOM 0 HB3 HIS A 11 67.528 11.096 24.660 1.00 0.00 H new ATOM 0 HD2 HIS A 11 71.265 11.967 25.057 1.00 0.00 H new ATOM 0 HE1 HIS A 11 69.431 15.288 23.174 1.00 0.00 H new ATOM 0 HE2 HIS A 11 71.675 14.174 23.844 1.00 0.00 H new ATOM 198 N VAL A 12 65.594 10.844 26.110 1.00 0.00 N ATOM 199 CA VAL A 12 64.352 10.112 26.286 1.00 0.00 C ATOM 200 C VAL A 12 64.347 8.894 25.359 1.00 0.00 C ATOM 201 O VAL A 12 65.380 8.256 25.161 1.00 0.00 O ATOM 202 CB VAL A 12 63.159 11.042 26.057 1.00 0.00 C ATOM 203 CG1 VAL A 12 63.275 12.304 26.914 1.00 0.00 C ATOM 204 CG2 VAL A 12 63.017 11.397 24.575 1.00 0.00 C ATOM 0 H VAL A 12 65.671 11.348 25.226 1.00 0.00 H new ATOM 0 HA VAL A 12 64.268 9.743 27.308 1.00 0.00 H new ATOM 0 HB VAL A 12 62.257 10.511 26.362 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.414 12.948 26.732 1.00 0.00 H new ATOM 0 HG12 VAL A 12 63.304 12.027 27.968 1.00 0.00 H new ATOM 0 HG13 VAL A 12 64.189 12.838 26.654 1.00 0.00 H new ATOM 0 HG21 VAL A 12 62.162 12.059 24.440 1.00 0.00 H new ATOM 0 HG22 VAL A 12 63.922 11.899 24.233 1.00 0.00 H new ATOM 0 HG23 VAL A 12 62.866 10.486 23.996 1.00 0.00 H new ATOM 214 N HIS A 13 63.173 8.609 24.816 1.00 0.00 N ATOM 215 CA HIS A 13 63.020 7.479 23.915 1.00 0.00 C ATOM 216 C HIS A 13 61.830 7.723 22.984 1.00 0.00 C ATOM 217 O HIS A 13 60.969 6.858 22.832 1.00 0.00 O ATOM 218 CB HIS A 13 62.901 6.171 24.700 1.00 0.00 C ATOM 219 CG HIS A 13 62.054 6.277 25.946 1.00 0.00 C ATOM 220 ND1 HIS A 13 60.699 6.555 25.910 1.00 0.00 N ATOM 221 CD2 HIS A 13 62.385 6.138 27.262 1.00 0.00 C ATOM 222 CE1 HIS A 13 60.245 6.581 27.155 1.00 0.00 C ATOM 223 NE2 HIS A 13 61.291 6.323 27.991 1.00 0.00 N ATOM 0 H HIS A 13 62.319 9.141 24.982 1.00 0.00 H new ATOM 0 HA HIS A 13 63.910 7.382 23.293 1.00 0.00 H new ATOM 0 HB2 HIS A 13 62.478 5.406 24.049 1.00 0.00 H new ATOM 0 HB3 HIS A 13 63.900 5.835 24.979 1.00 0.00 H new ATOM 0 HD1 HIS A 13 60.144 6.713 25.069 1.00 0.00 H new ATOM 0 HD2 HIS A 13 63.370 5.915 27.646 1.00 0.00 H new ATOM 0 HE1 HIS A 13 59.225 6.773 27.455 1.00 0.00 H new ATOM 231 N ASN A 14 61.821 8.904 22.385 1.00 0.00 N ATOM 232 CA ASN A 14 60.752 9.273 21.473 1.00 0.00 C ATOM 233 C ASN A 14 59.402 8.956 22.122 1.00 0.00 C ATOM 234 O ASN A 14 58.807 7.915 21.848 1.00 0.00 O ATOM 235 CB ASN A 14 60.845 8.482 20.167 1.00 0.00 C ATOM 236 CG ASN A 14 61.361 9.364 19.028 1.00 0.00 C ATOM 237 OD1 ASN A 14 60.606 9.983 18.297 1.00 0.00 O ATOM 238 ND2 ASN A 14 62.687 9.386 18.919 1.00 0.00 N ATOM 0 H ASN A 14 62.537 9.619 22.513 1.00 0.00 H new ATOM 0 HA ASN A 14 60.845 10.337 21.258 1.00 0.00 H new ATOM 0 HB2 ASN A 14 61.510 7.629 20.301 1.00 0.00 H new ATOM 0 HB3 ASN A 14 59.864 8.084 19.908 1.00 0.00 H new ATOM 0 HD21 ASN A 14 63.130 9.945 18.190 1.00 0.00 H new ATOM 0 HD22 ASN A 14 63.261 8.844 19.565 1.00 0.00 H new ATOM 245 N PHE A 15 58.960 9.873 22.970 1.00 0.00 N ATOM 246 CA PHE A 15 57.692 9.704 23.660 1.00 0.00 C ATOM 247 C PHE A 15 56.562 10.416 22.912 1.00 0.00 C ATOM 248 O PHE A 15 55.456 9.890 22.805 1.00 0.00 O ATOM 249 CB PHE A 15 57.849 10.336 25.044 1.00 0.00 C ATOM 250 CG PHE A 15 58.209 11.823 25.013 1.00 0.00 C ATOM 251 CD1 PHE A 15 59.513 12.206 24.965 1.00 0.00 C ATOM 252 CD2 PHE A 15 57.225 12.761 25.032 1.00 0.00 C ATOM 253 CE1 PHE A 15 59.847 13.585 24.936 1.00 0.00 C ATOM 254 CE2 PHE A 15 57.559 14.141 25.003 1.00 0.00 C ATOM 255 CZ PHE A 15 58.864 14.524 24.956 1.00 0.00 C ATOM 0 H PHE A 15 59.457 10.735 23.195 1.00 0.00 H new ATOM 0 HA PHE A 15 57.440 8.645 23.722 1.00 0.00 H new ATOM 0 HB2 PHE A 15 56.918 10.210 25.597 1.00 0.00 H new ATOM 0 HB3 PHE A 15 58.622 9.797 25.592 1.00 0.00 H new ATOM 0 HD1 PHE A 15 60.294 11.461 24.949 1.00 0.00 H new ATOM 0 HD2 PHE A 15 56.189 12.457 25.069 1.00 0.00 H new ATOM 0 HE1 PHE A 15 60.883 13.889 24.898 1.00 0.00 H new ATOM 0 HE2 PHE A 15 56.778 14.886 25.018 1.00 0.00 H new ATOM 0 HZ PHE A 15 59.119 15.573 24.935 1.00 0.00 H new ATOM 265 N MET A 16 56.881 11.602 22.414 1.00 0.00 N ATOM 266 CA MET A 16 55.906 12.391 21.680 1.00 0.00 C ATOM 267 C MET A 16 55.901 12.014 20.197 1.00 0.00 C ATOM 268 O MET A 16 55.224 12.653 19.393 1.00 0.00 O ATOM 269 CB MET A 16 56.237 13.877 21.828 1.00 0.00 C ATOM 270 CG MET A 16 57.569 14.213 21.151 1.00 0.00 C ATOM 271 SD MET A 16 57.397 15.690 20.165 1.00 0.00 S ATOM 272 CE MET A 16 58.468 16.794 21.071 1.00 0.00 C ATOM 0 H MET A 16 57.800 12.035 22.504 1.00 0.00 H new ATOM 0 HA MET A 16 54.917 12.187 22.091 1.00 0.00 H new ATOM 0 HB2 MET A 16 55.440 14.476 21.388 1.00 0.00 H new ATOM 0 HB3 MET A 16 56.286 14.139 22.885 1.00 0.00 H new ATOM 0 HG2 MET A 16 58.343 14.357 21.905 1.00 0.00 H new ATOM 0 HG3 MET A 16 57.887 13.381 20.522 1.00 0.00 H new ATOM 0 HE1 MET A 16 58.477 17.771 20.587 1.00 0.00 H new ATOM 0 HE2 MET A 16 58.103 16.899 22.093 1.00 0.00 H new ATOM 0 HE3 MET A 16 59.479 16.388 21.087 1.00 0.00 H new ATOM 282 N MET A 17 56.662 10.977 19.880 1.00 0.00 N ATOM 283 CA MET A 17 56.753 10.507 18.508 1.00 0.00 C ATOM 284 C MET A 17 55.363 10.355 17.887 1.00 0.00 C ATOM 285 O MET A 17 55.118 10.834 16.781 1.00 0.00 O ATOM 286 CB MET A 17 57.476 9.159 18.477 1.00 0.00 C ATOM 287 CG MET A 17 56.877 8.191 19.499 1.00 0.00 C ATOM 288 SD MET A 17 55.741 7.076 18.691 1.00 0.00 S ATOM 289 CE MET A 17 55.630 5.795 19.930 1.00 0.00 C ATOM 0 H MET A 17 57.221 10.449 20.550 1.00 0.00 H new ATOM 0 HA MET A 17 57.311 11.242 17.928 1.00 0.00 H new ATOM 0 HB2 MET A 17 57.406 8.728 17.478 1.00 0.00 H new ATOM 0 HB3 MET A 17 58.535 9.306 18.687 1.00 0.00 H new ATOM 0 HG2 MET A 17 57.672 7.625 19.985 1.00 0.00 H new ATOM 0 HG3 MET A 17 56.359 8.748 20.280 1.00 0.00 H new ATOM 0 HE1 MET A 17 54.955 5.012 19.585 1.00 0.00 H new ATOM 0 HE2 MET A 17 56.619 5.371 20.104 1.00 0.00 H new ATOM 0 HE3 MET A 17 55.249 6.219 20.859 1.00 0.00 H new ATOM 299 N ASP A 18 54.489 9.687 18.626 1.00 0.00 N ATOM 300 CA ASP A 18 53.130 9.466 18.162 1.00 0.00 C ATOM 301 C ASP A 18 52.185 10.422 18.892 1.00 0.00 C ATOM 302 O ASP A 18 51.512 10.028 19.844 1.00 0.00 O ATOM 303 CB ASP A 18 52.675 8.035 18.453 1.00 0.00 C ATOM 304 CG ASP A 18 52.757 7.075 17.265 1.00 0.00 C ATOM 305 OD1 ASP A 18 53.479 6.069 17.305 1.00 0.00 O ATOM 306 OD2 ASP A 18 52.028 7.400 16.251 1.00 0.00 O ATOM 0 H ASP A 18 54.696 9.292 19.543 1.00 0.00 H new ATOM 0 HA ASP A 18 53.108 9.639 17.086 1.00 0.00 H new ATOM 0 HB2 ASP A 18 53.281 7.635 19.266 1.00 0.00 H new ATOM 0 HB3 ASP A 18 51.645 8.063 18.808 1.00 0.00 H new ATOM 312 N THR A 19 52.164 11.659 18.419 1.00 0.00 N ATOM 313 CA THR A 19 51.312 12.674 19.015 1.00 0.00 C ATOM 314 C THR A 19 50.443 13.337 17.945 1.00 0.00 C ATOM 315 O THR A 19 49.220 13.372 18.068 1.00 0.00 O ATOM 316 CB THR A 19 52.208 13.661 19.768 1.00 0.00 C ATOM 317 OG1 THR A 19 53.272 13.927 18.858 1.00 0.00 O ATOM 318 CG2 THR A 19 52.899 13.022 20.974 1.00 0.00 C ATOM 0 H THR A 19 52.723 11.982 17.630 1.00 0.00 H new ATOM 0 HA THR A 19 50.615 12.235 19.729 1.00 0.00 H new ATOM 0 HB THR A 19 51.613 14.511 20.100 1.00 0.00 H new ATOM 0 HG1 THR A 19 54.127 13.691 19.276 1.00 0.00 H new ATOM 0 HG21 THR A 19 53.522 13.765 21.472 1.00 0.00 H new ATOM 0 HG22 THR A 19 52.147 12.653 21.671 1.00 0.00 H new ATOM 0 HG23 THR A 19 53.521 12.192 20.639 1.00 0.00 H new ATOM 326 N GLN A 20 51.109 13.846 16.919 1.00 0.00 N ATOM 327 CA GLN A 20 50.413 14.506 15.828 1.00 0.00 C ATOM 328 C GLN A 20 51.301 14.553 14.583 1.00 0.00 C ATOM 329 O GLN A 20 51.469 15.609 13.975 1.00 0.00 O ATOM 330 CB GLN A 20 49.964 15.911 16.234 1.00 0.00 C ATOM 331 CG GLN A 20 48.630 16.271 15.577 1.00 0.00 C ATOM 332 CD GLN A 20 47.968 17.451 16.291 1.00 0.00 C ATOM 333 OE1 GLN A 20 47.902 17.516 17.508 1.00 0.00 O ATOM 334 NE2 GLN A 20 47.483 18.378 15.470 1.00 0.00 N ATOM 0 H GLN A 20 52.124 13.815 16.820 1.00 0.00 H new ATOM 0 HA GLN A 20 49.519 13.929 15.592 1.00 0.00 H new ATOM 0 HB2 GLN A 20 49.866 15.966 17.318 1.00 0.00 H new ATOM 0 HB3 GLN A 20 50.724 16.637 15.945 1.00 0.00 H new ATOM 0 HG2 GLN A 20 48.793 16.521 14.528 1.00 0.00 H new ATOM 0 HG3 GLN A 20 47.965 15.408 15.600 1.00 0.00 H new ATOM 0 HE21 GLN A 20 47.572 18.262 14.461 1.00 0.00 H new ATOM 0 HE22 GLN A 20 47.022 19.205 15.850 1.00 0.00 H new ATOM 343 N LEU A 21 51.846 13.395 14.240 1.00 0.00 N ATOM 344 CA LEU A 21 52.713 13.290 13.078 1.00 0.00 C ATOM 345 C LEU A 21 52.837 11.821 12.671 1.00 0.00 C ATOM 346 O LEU A 21 53.708 11.107 13.166 1.00 0.00 O ATOM 347 CB LEU A 21 54.057 13.970 13.350 1.00 0.00 C ATOM 348 CG LEU A 21 55.004 13.229 14.296 1.00 0.00 C ATOM 349 CD1 LEU A 21 56.133 12.548 13.519 1.00 0.00 C ATOM 350 CD2 LEU A 21 55.538 14.165 15.381 1.00 0.00 C ATOM 0 H LEU A 21 51.704 12.521 14.746 1.00 0.00 H new ATOM 0 HA LEU A 21 52.280 13.820 12.230 1.00 0.00 H new ATOM 0 HB2 LEU A 21 54.567 14.116 12.398 1.00 0.00 H new ATOM 0 HB3 LEU A 21 53.864 14.960 13.763 1.00 0.00 H new ATOM 0 HG LEU A 21 54.440 12.443 14.798 1.00 0.00 H new ATOM 0 HD11 LEU A 21 56.792 12.029 14.215 1.00 0.00 H new ATOM 0 HD12 LEU A 21 55.710 11.831 12.816 1.00 0.00 H new ATOM 0 HD13 LEU A 21 56.703 13.299 12.972 1.00 0.00 H new ATOM 0 HD21 LEU A 21 56.209 13.613 16.040 1.00 0.00 H new ATOM 0 HD22 LEU A 21 56.082 14.988 14.917 1.00 0.00 H new ATOM 0 HD23 LEU A 21 54.705 14.562 15.961 1.00 0.00 H new ATOM 362 N THR A 22 51.954 11.412 11.772 1.00 0.00 N ATOM 363 CA THR A 22 51.954 10.041 11.292 1.00 0.00 C ATOM 364 C THR A 22 50.931 9.869 10.168 1.00 0.00 C ATOM 365 O THR A 22 49.792 10.317 10.286 1.00 0.00 O ATOM 366 CB THR A 22 51.702 9.121 12.489 1.00 0.00 C ATOM 367 OG1 THR A 22 52.062 7.827 12.014 1.00 0.00 O ATOM 368 CG2 THR A 22 50.215 8.995 12.827 1.00 0.00 C ATOM 0 H THR A 22 51.233 12.007 11.363 1.00 0.00 H new ATOM 0 HA THR A 22 52.917 9.775 10.856 1.00 0.00 H new ATOM 0 HB THR A 22 52.241 9.499 13.358 1.00 0.00 H new ATOM 0 HG1 THR A 22 51.931 7.168 12.728 1.00 0.00 H new ATOM 0 HG21 THR A 22 50.091 8.332 13.683 1.00 0.00 H new ATOM 0 HG22 THR A 22 49.812 9.979 13.069 1.00 0.00 H new ATOM 0 HG23 THR A 22 49.681 8.585 11.970 1.00 0.00 H new ATOM 376 N LYS A 23 51.375 9.218 9.102 1.00 0.00 N ATOM 377 CA LYS A 23 50.512 8.981 7.957 1.00 0.00 C ATOM 378 C LYS A 23 49.587 7.800 8.257 1.00 0.00 C ATOM 379 O LYS A 23 49.891 6.970 9.112 1.00 0.00 O ATOM 380 CB LYS A 23 51.346 8.802 6.686 1.00 0.00 C ATOM 381 CG LYS A 23 51.687 7.329 6.457 1.00 0.00 C ATOM 382 CD LYS A 23 53.057 7.180 5.792 1.00 0.00 C ATOM 383 CE LYS A 23 52.914 6.711 4.342 1.00 0.00 C ATOM 384 NZ LYS A 23 54.198 6.856 3.622 1.00 0.00 N ATOM 0 H LYS A 23 52.321 8.848 9.007 1.00 0.00 H new ATOM 0 HA LYS A 23 49.875 9.846 7.774 1.00 0.00 H new ATOM 0 HB2 LYS A 23 50.796 9.189 5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 23 52.264 9.384 6.765 1.00 0.00 H new ATOM 0 HG2 LYS A 23 51.681 6.799 7.409 1.00 0.00 H new ATOM 0 HG3 LYS A 23 50.923 6.868 5.831 1.00 0.00 H new ATOM 0 HD2 LYS A 23 53.584 8.134 5.819 1.00 0.00 H new ATOM 0 HD3 LYS A 23 53.661 6.466 6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 23 52.594 5.669 4.320 1.00 0.00 H new ATOM 0 HE3 LYS A 23 52.141 7.293 3.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 54.084 6.533 2.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 54.488 7.855 3.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 54.927 6.282 4.092 1.00 0.00 H new ATOM 397 N ARG A 24 48.476 7.763 7.536 1.00 0.00 N ATOM 398 CA ARG A 24 47.504 6.698 7.714 1.00 0.00 C ATOM 399 C ARG A 24 48.105 5.355 7.293 1.00 0.00 C ATOM 400 O ARG A 24 49.324 5.191 7.287 1.00 0.00 O ATOM 401 CB ARG A 24 46.240 6.963 6.894 1.00 0.00 C ATOM 402 CG ARG A 24 44.984 6.805 7.755 1.00 0.00 C ATOM 403 CD ARG A 24 43.744 7.306 7.012 1.00 0.00 C ATOM 404 NE ARG A 24 43.417 8.683 7.444 1.00 0.00 N ATOM 405 CZ ARG A 24 43.095 9.023 8.710 1.00 0.00 C ATOM 406 NH1 ARG A 24 43.052 8.086 9.681 1.00 0.00 N ATOM 407 NH2 ARG A 24 42.821 10.285 8.985 1.00 0.00 N ATOM 0 H ARG A 24 48.227 8.453 6.827 1.00 0.00 H new ATOM 0 HA ARG A 24 47.238 6.665 8.770 1.00 0.00 H new ATOM 0 HB2 ARG A 24 46.276 7.970 6.479 1.00 0.00 H new ATOM 0 HB3 ARG A 24 46.197 6.272 6.052 1.00 0.00 H new ATOM 0 HG2 ARG A 24 44.853 5.757 8.024 1.00 0.00 H new ATOM 0 HG3 ARG A 24 45.104 7.360 8.685 1.00 0.00 H new ATOM 0 HD2 ARG A 24 43.921 7.286 5.937 1.00 0.00 H new ATOM 0 HD3 ARG A 24 42.900 6.644 7.208 1.00 0.00 H new ATOM 0 HE ARG A 24 43.436 9.422 6.741 1.00 0.00 H new ATOM 0 HH11 ARG A 24 43.264 7.113 9.460 1.00 0.00 H new ATOM 0 HH12 ARG A 24 42.808 8.351 10.635 1.00 0.00 H new ATOM 0 HH21 ARG A 24 42.854 10.987 8.246 1.00 0.00 H new ATOM 0 HH22 ARG A 24 42.576 10.558 9.937 1.00 0.00 H new ATOM 420 N VAL A 25 47.221 4.429 6.951 1.00 0.00 N ATOM 421 CA VAL A 25 47.649 3.106 6.529 1.00 0.00 C ATOM 422 C VAL A 25 48.012 3.142 5.043 1.00 0.00 C ATOM 423 O VAL A 25 47.553 2.304 4.268 1.00 0.00 O ATOM 424 CB VAL A 25 46.565 2.077 6.855 1.00 0.00 C ATOM 425 CG1 VAL A 25 45.292 2.348 6.052 1.00 0.00 C ATOM 426 CG2 VAL A 25 47.071 0.653 6.616 1.00 0.00 C ATOM 0 H VAL A 25 46.211 4.569 6.958 1.00 0.00 H new ATOM 0 HA VAL A 25 48.542 2.801 7.074 1.00 0.00 H new ATOM 0 HB VAL A 25 46.320 2.173 7.913 1.00 0.00 H new ATOM 0 HG11 VAL A 25 44.538 1.602 6.303 1.00 0.00 H new ATOM 0 HG12 VAL A 25 44.914 3.341 6.293 1.00 0.00 H new ATOM 0 HG13 VAL A 25 45.515 2.294 4.987 1.00 0.00 H new ATOM 0 HG21 VAL A 25 46.281 -0.059 6.855 1.00 0.00 H new ATOM 0 HG22 VAL A 25 47.357 0.539 5.570 1.00 0.00 H new ATOM 0 HG23 VAL A 25 47.936 0.463 7.252 1.00 0.00 H new ATOM 436 N LYS A 26 48.833 4.120 4.690 1.00 0.00 N ATOM 437 CA LYS A 26 49.262 4.276 3.311 1.00 0.00 C ATOM 438 C LYS A 26 48.122 4.885 2.492 1.00 0.00 C ATOM 439 O LYS A 26 47.832 4.426 1.388 1.00 0.00 O ATOM 440 CB LYS A 26 49.776 2.946 2.756 1.00 0.00 C ATOM 441 CG LYS A 26 50.564 3.159 1.462 1.00 0.00 C ATOM 442 CD LYS A 26 51.608 4.264 1.633 1.00 0.00 C ATOM 443 CE LYS A 26 52.779 4.066 0.668 1.00 0.00 C ATOM 444 NZ LYS A 26 53.616 2.923 1.097 1.00 0.00 N ATOM 0 H LYS A 26 49.213 4.813 5.336 1.00 0.00 H new ATOM 0 HA LYS A 26 50.103 4.967 3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 26 50.411 2.460 3.497 1.00 0.00 H new ATOM 0 HB3 LYS A 26 48.936 2.277 2.568 1.00 0.00 H new ATOM 0 HG2 LYS A 26 51.056 2.230 1.174 1.00 0.00 H new ATOM 0 HG3 LYS A 26 49.880 3.421 0.654 1.00 0.00 H new ATOM 0 HD2 LYS A 26 51.147 5.236 1.456 1.00 0.00 H new ATOM 0 HD3 LYS A 26 51.975 4.267 2.660 1.00 0.00 H new ATOM 0 HE2 LYS A 26 52.402 3.890 -0.340 1.00 0.00 H new ATOM 0 HE3 LYS A 26 53.383 4.972 0.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 54.558 3.000 0.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 53.710 2.931 2.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 53.169 2.033 0.797 1.00 0.00 H new ATOM 457 N ASN A 27 47.507 5.910 3.064 1.00 0.00 N ATOM 458 CA ASN A 27 46.405 6.586 2.401 1.00 0.00 C ATOM 459 C ASN A 27 45.519 5.549 1.707 1.00 0.00 C ATOM 460 O ASN A 27 44.987 5.805 0.628 1.00 0.00 O ATOM 461 CB ASN A 27 46.917 7.559 1.336 1.00 0.00 C ATOM 462 CG ASN A 27 47.714 6.822 0.258 1.00 0.00 C ATOM 463 OD1 ASN A 27 49.008 6.689 0.537 1.00 0.00 O flip ATOM 464 ND2 ASN A 27 47.190 6.401 -0.760 1.00 0.00 N flip ATOM 0 H ASN A 27 47.751 6.289 3.979 1.00 0.00 H new ATOM 0 HA ASN A 27 45.845 7.138 3.156 1.00 0.00 H new ATOM 0 HB2 ASN A 27 46.075 8.079 0.879 1.00 0.00 H new ATOM 0 HB3 ASN A 27 47.545 8.317 1.803 1.00 0.00 H new ATOM 0 HD21 ASN A 27 46.191 6.537 -0.913 1.00 0.00 H new ATOM 0 HD22 ASN A 27 47.751 5.913 -1.458 1.00 0.00 H new ATOM 471 N ALA A 28 45.389 4.401 2.355 1.00 0.00 N ATOM 472 CA ALA A 28 44.577 3.325 1.814 1.00 0.00 C ATOM 473 C ALA A 28 43.100 3.717 1.893 1.00 0.00 C ATOM 474 O ALA A 28 42.237 3.005 1.382 1.00 0.00 O ATOM 475 CB ALA A 28 44.877 2.029 2.571 1.00 0.00 C ATOM 0 H ALA A 28 45.832 4.193 3.250 1.00 0.00 H new ATOM 0 HA ALA A 28 44.817 3.153 0.765 1.00 0.00 H new ATOM 0 HB1 ALA A 28 44.268 1.221 2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.932 1.779 2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.645 2.163 3.628 1.00 0.00 H new ATOM 481 N ALA A 29 42.855 4.849 2.536 1.00 0.00 N ATOM 482 CA ALA A 29 41.497 5.345 2.688 1.00 0.00 C ATOM 483 C ALA A 29 40.864 4.713 3.929 1.00 0.00 C ATOM 484 O ALA A 29 39.719 4.266 3.887 1.00 0.00 O ATOM 485 CB ALA A 29 40.702 5.052 1.414 1.00 0.00 C ATOM 0 H ALA A 29 43.574 5.437 2.958 1.00 0.00 H new ATOM 0 HA ALA A 29 41.496 6.425 2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 29 39.684 5.424 1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 29 41.177 5.547 0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 29 40.678 3.976 1.239 1.00 0.00 H new ATOM 491 N ALA A 30 41.637 4.696 5.005 1.00 0.00 N ATOM 492 CA ALA A 30 41.166 4.127 6.256 1.00 0.00 C ATOM 493 C ALA A 30 39.811 4.741 6.612 1.00 0.00 C ATOM 494 O ALA A 30 39.748 5.854 7.132 1.00 0.00 O ATOM 495 CB ALA A 30 42.215 4.354 7.347 1.00 0.00 C ATOM 0 H ALA A 30 42.587 5.067 5.036 1.00 0.00 H new ATOM 0 HA ALA A 30 41.024 3.051 6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 30 41.862 3.927 8.286 1.00 0.00 H new ATOM 0 HB2 ALA A 30 43.150 3.873 7.059 1.00 0.00 H new ATOM 0 HB3 ALA A 30 42.382 5.424 7.475 1.00 0.00 H new ATOM 501 N ASN A 31 38.761 3.988 6.320 1.00 0.00 N ATOM 502 CA ASN A 31 37.411 4.444 6.603 1.00 0.00 C ATOM 503 C ASN A 31 37.204 5.828 5.984 1.00 0.00 C ATOM 504 O ASN A 31 36.304 6.564 6.385 1.00 0.00 O ATOM 505 CB ASN A 31 37.174 4.560 8.110 1.00 0.00 C ATOM 506 CG ASN A 31 36.293 3.416 8.616 1.00 0.00 C ATOM 507 OD1 ASN A 31 35.080 3.518 8.688 1.00 0.00 O ATOM 508 ND2 ASN A 31 36.970 2.325 8.962 1.00 0.00 N ATOM 0 H ASN A 31 38.818 3.065 5.890 1.00 0.00 H new ATOM 0 HA ASN A 31 36.715 3.718 6.183 1.00 0.00 H new ATOM 0 HB2 ASN A 31 38.130 4.547 8.634 1.00 0.00 H new ATOM 0 HB3 ASN A 31 36.700 5.516 8.335 1.00 0.00 H new ATOM 0 HD21 ASN A 31 36.473 1.506 9.313 1.00 0.00 H new ATOM 0 HD22 ASN A 31 37.986 2.307 8.877 1.00 0.00 H new ATOM 515 N VAL A 32 38.053 6.141 5.016 1.00 0.00 N ATOM 516 CA VAL A 32 37.975 7.423 4.337 1.00 0.00 C ATOM 517 C VAL A 32 37.691 8.521 5.363 1.00 0.00 C ATOM 518 O VAL A 32 37.115 9.555 5.028 1.00 0.00 O ATOM 519 CB VAL A 32 36.930 7.362 3.221 1.00 0.00 C ATOM 520 CG1 VAL A 32 36.703 8.744 2.606 1.00 0.00 C ATOM 521 CG2 VAL A 32 37.329 6.344 2.151 1.00 0.00 C ATOM 0 H VAL A 32 38.799 5.528 4.686 1.00 0.00 H new ATOM 0 HA VAL A 32 38.926 7.661 3.860 1.00 0.00 H new ATOM 0 HB VAL A 32 35.989 7.033 3.661 1.00 0.00 H new ATOM 0 HG11 VAL A 32 35.956 8.672 1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 32 36.352 9.432 3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 32 37.639 9.114 2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 32 36.569 6.321 1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 32 38.287 6.629 1.717 1.00 0.00 H new ATOM 0 HG23 VAL A 32 37.415 5.356 2.603 1.00 0.00 H new ATOM 531 N LEU A 33 38.108 8.260 6.593 1.00 0.00 N ATOM 532 CA LEU A 33 37.906 9.214 7.671 1.00 0.00 C ATOM 533 C LEU A 33 36.411 9.317 7.981 1.00 0.00 C ATOM 534 O LEU A 33 35.983 9.020 9.095 1.00 0.00 O ATOM 535 CB LEU A 33 38.556 10.556 7.327 1.00 0.00 C ATOM 536 CG LEU A 33 39.008 11.406 8.517 1.00 0.00 C ATOM 537 CD1 LEU A 33 40.510 11.691 8.448 1.00 0.00 C ATOM 538 CD2 LEU A 33 38.184 12.691 8.617 1.00 0.00 C ATOM 0 H LEU A 33 38.585 7.401 6.868 1.00 0.00 H new ATOM 0 HA LEU A 33 38.398 8.871 8.581 1.00 0.00 H new ATOM 0 HB2 LEU A 33 39.421 10.366 6.692 1.00 0.00 H new ATOM 0 HB3 LEU A 33 37.849 11.139 6.737 1.00 0.00 H new ATOM 0 HG LEU A 33 38.830 10.838 9.430 1.00 0.00 H new ATOM 0 HD11 LEU A 33 40.805 12.296 9.305 1.00 0.00 H new ATOM 0 HD12 LEU A 33 41.060 10.750 8.462 1.00 0.00 H new ATOM 0 HD13 LEU A 33 40.736 12.230 7.528 1.00 0.00 H new ATOM 0 HD21 LEU A 33 38.525 13.277 9.471 1.00 0.00 H new ATOM 0 HD22 LEU A 33 38.307 13.274 7.704 1.00 0.00 H new ATOM 0 HD23 LEU A 33 37.132 12.439 8.747 1.00 0.00 H new ATOM 550 N ARG A 34 35.658 9.737 6.975 1.00 0.00 N ATOM 551 CA ARG A 34 34.220 9.882 7.127 1.00 0.00 C ATOM 552 C ARG A 34 33.534 8.520 7.012 1.00 0.00 C ATOM 553 O ARG A 34 32.471 8.305 7.592 1.00 0.00 O ATOM 554 CB ARG A 34 33.647 10.825 6.067 1.00 0.00 C ATOM 555 CG ARG A 34 34.415 12.148 6.036 1.00 0.00 C ATOM 556 CD ARG A 34 33.808 13.157 7.013 1.00 0.00 C ATOM 557 NE ARG A 34 33.319 14.344 6.276 1.00 0.00 N ATOM 558 CZ ARG A 34 32.839 15.458 6.868 1.00 0.00 C ATOM 559 NH1 ARG A 34 32.779 15.547 8.214 1.00 0.00 N ATOM 560 NH2 ARG A 34 32.428 16.459 6.111 1.00 0.00 N ATOM 0 H ARG A 34 36.016 9.981 6.052 1.00 0.00 H new ATOM 0 HA ARG A 34 34.032 10.305 8.114 1.00 0.00 H new ATOM 0 HB2 ARG A 34 33.696 10.349 5.088 1.00 0.00 H new ATOM 0 HB3 ARG A 34 32.595 11.016 6.276 1.00 0.00 H new ATOM 0 HG2 ARG A 34 35.460 11.972 6.292 1.00 0.00 H new ATOM 0 HG3 ARG A 34 34.399 12.559 5.026 1.00 0.00 H new ATOM 0 HD2 ARG A 34 32.987 12.696 7.562 1.00 0.00 H new ATOM 0 HD3 ARG A 34 34.554 13.457 7.749 1.00 0.00 H new ATOM 0 HE ARG A 34 33.347 14.318 5.257 1.00 0.00 H new ATOM 0 HH11 ARG A 34 33.098 14.769 8.791 1.00 0.00 H new ATOM 0 HH12 ARG A 34 32.415 16.392 8.653 1.00 0.00 H new ATOM 0 HH21 ARG A 34 32.476 16.383 5.095 1.00 0.00 H new ATOM 0 HH22 ARG A 34 32.062 17.308 6.542 1.00 0.00 H new ATOM 573 N GLU A 35 34.170 7.634 6.260 1.00 0.00 N ATOM 574 CA GLU A 35 33.634 6.298 6.061 1.00 0.00 C ATOM 575 C GLU A 35 32.145 6.369 5.721 1.00 0.00 C ATOM 576 O GLU A 35 31.329 5.690 6.343 1.00 0.00 O ATOM 577 CB GLU A 35 33.874 5.423 7.293 1.00 0.00 C ATOM 578 CG GLU A 35 33.195 6.017 8.529 1.00 0.00 C ATOM 579 CD GLU A 35 33.239 5.037 9.703 1.00 0.00 C ATOM 580 OE1 GLU A 35 32.617 3.966 9.642 1.00 0.00 O ATOM 581 OE2 GLU A 35 33.954 5.421 10.707 1.00 0.00 O ATOM 0 H GLU A 35 35.052 7.815 5.781 1.00 0.00 H new ATOM 0 HA GLU A 35 34.156 5.839 5.222 1.00 0.00 H new ATOM 0 HB2 GLU A 35 33.491 4.419 7.111 1.00 0.00 H new ATOM 0 HB3 GLU A 35 34.945 5.328 7.473 1.00 0.00 H new ATOM 0 HG2 GLU A 35 33.690 6.947 8.808 1.00 0.00 H new ATOM 0 HG3 GLU A 35 32.159 6.264 8.296 1.00 0.00 H new ATOM 589 N THR A 36 31.834 7.196 4.734 1.00 0.00 N ATOM 590 CA THR A 36 30.457 7.365 4.303 1.00 0.00 C ATOM 591 C THR A 36 29.889 6.035 3.802 1.00 0.00 C ATOM 592 O THR A 36 28.673 5.864 3.730 1.00 0.00 O ATOM 593 CB THR A 36 30.423 8.475 3.250 1.00 0.00 C ATOM 594 OG1 THR A 36 29.086 8.963 3.304 1.00 0.00 O ATOM 595 CG2 THR A 36 30.566 7.935 1.826 1.00 0.00 C ATOM 0 H THR A 36 32.513 7.757 4.220 1.00 0.00 H new ATOM 0 HA THR A 36 29.817 7.665 5.133 1.00 0.00 H new ATOM 0 HB THR A 36 31.222 9.189 3.449 1.00 0.00 H new ATOM 0 HG1 THR A 36 28.470 8.215 3.450 1.00 0.00 H new ATOM 0 HG21 THR A 36 30.536 8.763 1.118 1.00 0.00 H new ATOM 0 HG22 THR A 36 31.516 7.410 1.730 1.00 0.00 H new ATOM 0 HG23 THR A 36 29.748 7.246 1.614 1.00 0.00 H new ATOM 603 N TRP A 37 30.795 5.128 3.470 1.00 0.00 N ATOM 604 CA TRP A 37 30.399 3.820 2.978 1.00 0.00 C ATOM 605 C TRP A 37 30.345 2.863 4.171 1.00 0.00 C ATOM 606 O TRP A 37 30.440 1.649 4.002 1.00 0.00 O ATOM 607 CB TRP A 37 31.341 3.342 1.871 1.00 0.00 C ATOM 608 CG TRP A 37 32.339 4.402 1.402 1.00 0.00 C ATOM 609 CD1 TRP A 37 33.600 4.590 1.816 1.00 0.00 C ATOM 610 CD2 TRP A 37 32.107 5.420 0.406 1.00 0.00 C ATOM 611 NE1 TRP A 37 34.194 5.650 1.163 1.00 0.00 N ATOM 612 CE2 TRP A 37 33.258 6.171 0.278 1.00 0.00 C ATOM 613 CE3 TRP A 37 30.962 5.698 -0.361 1.00 0.00 C ATOM 614 CZ2 TRP A 37 33.376 7.248 -0.609 1.00 0.00 C ATOM 615 CZ3 TRP A 37 31.096 6.777 -1.243 1.00 0.00 C ATOM 616 CH2 TRP A 37 32.248 7.543 -1.384 1.00 0.00 C ATOM 0 H TRP A 37 31.803 5.273 3.532 1.00 0.00 H new ATOM 0 HA TRP A 37 29.411 3.863 2.521 1.00 0.00 H new ATOM 0 HB2 TRP A 37 31.892 2.472 2.228 1.00 0.00 H new ATOM 0 HB3 TRP A 37 30.746 3.015 1.018 1.00 0.00 H new ATOM 0 HD1 TRP A 37 34.089 3.987 2.567 1.00 0.00 H new ATOM 0 HE1 TRP A 37 35.146 5.989 1.304 1.00 0.00 H new ATOM 0 HE3 TRP A 37 30.051 5.124 -0.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 34.288 7.820 -0.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 30.245 7.032 -1.857 1.00 0.00 H new ATOM 0 HH2 TRP A 37 32.272 8.362 -2.088 1.00 0.00 H new ATOM 627 N LEU A 38 30.192 3.447 5.351 1.00 0.00 N ATOM 628 CA LEU A 38 30.124 2.662 6.571 1.00 0.00 C ATOM 629 C LEU A 38 29.085 3.277 7.511 1.00 0.00 C ATOM 630 O LEU A 38 28.208 2.577 8.016 1.00 0.00 O ATOM 631 CB LEU A 38 31.513 2.523 7.197 1.00 0.00 C ATOM 632 CG LEU A 38 32.624 2.038 6.264 1.00 0.00 C ATOM 633 CD1 LEU A 38 32.964 3.100 5.217 1.00 0.00 C ATOM 634 CD2 LEU A 38 33.856 1.601 7.059 1.00 0.00 C ATOM 0 H LEU A 38 30.113 4.455 5.487 1.00 0.00 H new ATOM 0 HA LEU A 38 29.795 1.646 6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 38 31.805 3.491 7.604 1.00 0.00 H new ATOM 0 HB3 LEU A 38 31.444 1.832 8.037 1.00 0.00 H new ATOM 0 HG LEU A 38 32.260 1.162 5.727 1.00 0.00 H new ATOM 0 HD11 LEU A 38 33.757 2.729 4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 38 32.078 3.320 4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 38 33.300 4.009 5.716 1.00 0.00 H new ATOM 0 HD21 LEU A 38 34.631 1.261 6.372 1.00 0.00 H new ATOM 0 HD22 LEU A 38 34.231 2.443 7.641 1.00 0.00 H new ATOM 0 HD23 LEU A 38 33.585 0.787 7.732 1.00 0.00 H new ATOM 646 N ILE A 39 29.217 4.579 7.716 1.00 0.00 N ATOM 647 CA ILE A 39 28.300 5.296 8.586 1.00 0.00 C ATOM 648 C ILE A 39 26.916 5.338 7.937 1.00 0.00 C ATOM 649 O ILE A 39 25.900 5.278 8.629 1.00 0.00 O ATOM 650 CB ILE A 39 28.860 6.678 8.931 1.00 0.00 C ATOM 651 CG1 ILE A 39 29.420 7.369 7.687 1.00 0.00 C ATOM 652 CG2 ILE A 39 29.897 6.585 10.052 1.00 0.00 C ATOM 653 CD1 ILE A 39 28.941 8.820 7.603 1.00 0.00 C ATOM 0 H ILE A 39 29.945 5.156 7.295 1.00 0.00 H new ATOM 0 HA ILE A 39 28.190 4.775 9.537 1.00 0.00 H new ATOM 0 HB ILE A 39 28.042 7.296 9.301 1.00 0.00 H new ATOM 0 HG12 ILE A 39 30.509 7.343 7.711 1.00 0.00 H new ATOM 0 HG13 ILE A 39 29.108 6.827 6.794 1.00 0.00 H new ATOM 0 HG21 ILE A 39 30.279 7.581 10.278 1.00 0.00 H new ATOM 0 HG22 ILE A 39 29.432 6.164 10.944 1.00 0.00 H new ATOM 0 HG23 ILE A 39 30.720 5.944 9.734 1.00 0.00 H new ATOM 0 HD11 ILE A 39 29.354 9.288 6.709 1.00 0.00 H new ATOM 0 HD12 ILE A 39 27.852 8.842 7.554 1.00 0.00 H new ATOM 0 HD13 ILE A 39 29.275 9.365 8.486 1.00 0.00 H new ATOM 665 N TYR A 40 26.919 5.440 6.616 1.00 0.00 N ATOM 666 CA TYR A 40 25.676 5.490 5.866 1.00 0.00 C ATOM 667 C TYR A 40 24.737 6.557 6.432 1.00 0.00 C ATOM 668 O TYR A 40 23.716 6.233 7.037 1.00 0.00 O ATOM 669 CB TYR A 40 25.026 4.115 6.034 1.00 0.00 C ATOM 670 CG TYR A 40 25.634 3.027 5.147 1.00 0.00 C ATOM 671 CD1 TYR A 40 25.690 3.203 3.779 1.00 0.00 C ATOM 672 CD2 TYR A 40 26.128 1.870 5.715 1.00 0.00 C ATOM 673 CE1 TYR A 40 26.262 2.179 2.944 1.00 0.00 C ATOM 674 CE2 TYR A 40 26.700 0.846 4.880 1.00 0.00 C ATOM 675 CZ TYR A 40 26.739 1.051 3.536 1.00 0.00 C ATOM 676 OH TYR A 40 27.280 0.084 2.747 1.00 0.00 O ATOM 0 H TYR A 40 27.763 5.489 6.046 1.00 0.00 H new ATOM 0 HA TYR A 40 25.868 5.737 4.822 1.00 0.00 H new ATOM 0 HB2 TYR A 40 25.111 3.809 7.077 1.00 0.00 H new ATOM 0 HB3 TYR A 40 23.962 4.198 5.812 1.00 0.00 H new ATOM 0 HD1 TYR A 40 25.305 4.109 3.335 1.00 0.00 H new ATOM 0 HD2 TYR A 40 26.085 1.733 6.785 1.00 0.00 H new ATOM 0 HE1 TYR A 40 26.311 2.304 1.872 1.00 0.00 H new ATOM 0 HE2 TYR A 40 27.089 -0.064 5.311 1.00 0.00 H new ATOM 0 HH TYR A 40 27.580 -0.663 3.305 1.00 0.00 H new ATOM 686 N LYS A 41 25.116 7.808 6.216 1.00 0.00 N ATOM 687 CA LYS A 41 24.320 8.925 6.697 1.00 0.00 C ATOM 688 C LYS A 41 24.226 8.858 8.223 1.00 0.00 C ATOM 689 O LYS A 41 25.001 9.506 8.925 1.00 0.00 O ATOM 690 CB LYS A 41 22.959 8.954 5.998 1.00 0.00 C ATOM 691 CG LYS A 41 23.119 9.216 4.499 1.00 0.00 C ATOM 692 CD LYS A 41 23.567 10.656 4.238 1.00 0.00 C ATOM 693 CE LYS A 41 22.430 11.482 3.633 1.00 0.00 C ATOM 694 NZ LYS A 41 22.798 11.960 2.282 1.00 0.00 N ATOM 0 H LYS A 41 25.964 8.073 5.714 1.00 0.00 H new ATOM 0 HA LYS A 41 24.801 9.871 6.447 1.00 0.00 H new ATOM 0 HB2 LYS A 41 22.446 8.005 6.152 1.00 0.00 H new ATOM 0 HB3 LYS A 41 22.334 9.729 6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 41 23.849 8.523 4.081 1.00 0.00 H new ATOM 0 HG3 LYS A 41 22.173 9.028 3.990 1.00 0.00 H new ATOM 0 HD2 LYS A 41 23.897 11.113 5.171 1.00 0.00 H new ATOM 0 HD3 LYS A 41 24.422 10.658 3.562 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.524 10.878 3.577 1.00 0.00 H new ATOM 0 HE3 LYS A 41 22.207 12.332 4.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 22.015 12.519 1.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 23.650 12.553 2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 22.988 11.145 1.665 1.00 0.00 H new ATOM 707 N ASN A 42 23.269 8.070 8.691 1.00 0.00 N ATOM 708 CA ASN A 42 23.064 7.911 10.120 1.00 0.00 C ATOM 709 C ASN A 42 22.960 9.290 10.774 1.00 0.00 C ATOM 710 O ASN A 42 23.966 9.861 11.190 1.00 0.00 O ATOM 711 CB ASN A 42 24.236 7.169 10.766 1.00 0.00 C ATOM 712 CG ASN A 42 23.770 5.861 11.409 1.00 0.00 C ATOM 713 OD1 ASN A 42 22.654 5.738 11.888 1.00 0.00 O ATOM 714 ND2 ASN A 42 24.683 4.895 11.393 1.00 0.00 N ATOM 0 H ASN A 42 22.627 7.535 8.106 1.00 0.00 H new ATOM 0 HA ASN A 42 22.149 7.337 10.266 1.00 0.00 H new ATOM 0 HB2 ASN A 42 24.996 6.958 10.014 1.00 0.00 H new ATOM 0 HB3 ASN A 42 24.701 7.804 11.520 1.00 0.00 H new ATOM 0 HD21 ASN A 42 24.468 3.984 11.798 1.00 0.00 H new ATOM 0 HD22 ASN A 42 25.598 5.065 10.976 1.00 0.00 H new ATOM 721 N THR A 43 21.733 9.786 10.842 1.00 0.00 N ATOM 722 CA THR A 43 21.485 11.088 11.437 1.00 0.00 C ATOM 723 C THR A 43 22.436 12.133 10.851 1.00 0.00 C ATOM 724 O THR A 43 23.256 11.818 9.991 1.00 0.00 O ATOM 725 CB THR A 43 21.602 10.944 12.956 1.00 0.00 C ATOM 726 OG1 THR A 43 21.151 12.199 13.460 1.00 0.00 O ATOM 727 CG2 THR A 43 23.056 10.855 13.425 1.00 0.00 C ATOM 0 H THR A 43 20.900 9.310 10.495 1.00 0.00 H new ATOM 0 HA THR A 43 20.481 11.443 11.206 1.00 0.00 H new ATOM 0 HB THR A 43 21.061 10.055 13.279 1.00 0.00 H new ATOM 0 HG1 THR A 43 21.192 12.192 14.439 1.00 0.00 H new ATOM 0 HG21 THR A 43 23.083 10.754 14.510 1.00 0.00 H new ATOM 0 HG22 THR A 43 23.533 9.988 12.968 1.00 0.00 H new ATOM 0 HG23 THR A 43 23.589 11.759 13.132 1.00 0.00 H new ATOM 735 N LYS A 44 22.294 13.357 11.340 1.00 0.00 N ATOM 736 CA LYS A 44 23.130 14.450 10.874 1.00 0.00 C ATOM 737 C LYS A 44 23.733 15.174 12.080 1.00 0.00 C ATOM 738 O LYS A 44 23.079 16.015 12.694 1.00 0.00 O ATOM 739 CB LYS A 44 22.342 15.367 9.938 1.00 0.00 C ATOM 740 CG LYS A 44 22.223 14.753 8.541 1.00 0.00 C ATOM 741 CD LYS A 44 21.500 15.704 7.585 1.00 0.00 C ATOM 742 CE LYS A 44 20.299 15.017 6.933 1.00 0.00 C ATOM 743 NZ LYS A 44 19.078 15.228 7.743 1.00 0.00 N ATOM 0 H LYS A 44 21.613 13.615 12.054 1.00 0.00 H new ATOM 0 HA LYS A 44 23.961 14.068 10.282 1.00 0.00 H new ATOM 0 HB2 LYS A 44 21.347 15.543 10.348 1.00 0.00 H new ATOM 0 HB3 LYS A 44 22.836 16.337 9.872 1.00 0.00 H new ATOM 0 HG2 LYS A 44 23.216 14.527 8.153 1.00 0.00 H new ATOM 0 HG3 LYS A 44 21.681 13.809 8.600 1.00 0.00 H new ATOM 0 HD2 LYS A 44 21.167 16.588 8.129 1.00 0.00 H new ATOM 0 HD3 LYS A 44 22.191 16.045 6.814 1.00 0.00 H new ATOM 0 HE2 LYS A 44 20.148 15.411 5.928 1.00 0.00 H new ATOM 0 HE3 LYS A 44 20.495 13.950 6.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.272 14.755 7.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 19.219 14.831 8.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.884 16.247 7.819 1.00 0.00 H new ATOM 756 N LEU A 45 24.974 14.820 12.383 1.00 0.00 N ATOM 757 CA LEU A 45 25.672 15.425 13.504 1.00 0.00 C ATOM 758 C LEU A 45 26.466 16.637 13.011 1.00 0.00 C ATOM 759 O LEU A 45 27.683 16.694 13.176 1.00 0.00 O ATOM 760 CB LEU A 45 26.526 14.383 14.229 1.00 0.00 C ATOM 761 CG LEU A 45 27.571 13.662 13.375 1.00 0.00 C ATOM 762 CD1 LEU A 45 28.988 13.983 13.856 1.00 0.00 C ATOM 763 CD2 LEU A 45 27.305 12.156 13.340 1.00 0.00 C ATOM 0 H LEU A 45 25.513 14.122 11.871 1.00 0.00 H new ATOM 0 HA LEU A 45 24.960 15.790 14.244 1.00 0.00 H new ATOM 0 HB2 LEU A 45 27.038 14.874 15.057 1.00 0.00 H new ATOM 0 HB3 LEU A 45 25.862 13.636 14.663 1.00 0.00 H new ATOM 0 HG LEU A 45 27.488 14.028 12.352 1.00 0.00 H new ATOM 0 HD11 LEU A 45 29.712 13.458 13.232 1.00 0.00 H new ATOM 0 HD12 LEU A 45 29.161 15.057 13.787 1.00 0.00 H new ATOM 0 HD13 LEU A 45 29.102 13.663 14.892 1.00 0.00 H new ATOM 0 HD21 LEU A 45 28.062 11.667 12.727 1.00 0.00 H new ATOM 0 HD22 LEU A 45 27.345 11.756 14.353 1.00 0.00 H new ATOM 0 HD23 LEU A 45 26.318 11.971 12.915 1.00 0.00 H new ATOM 775 N VAL A 46 25.744 17.575 12.415 1.00 0.00 N ATOM 776 CA VAL A 46 26.366 18.781 11.897 1.00 0.00 C ATOM 777 C VAL A 46 25.704 20.005 12.534 1.00 0.00 C ATOM 778 O VAL A 46 24.891 20.675 11.900 1.00 0.00 O ATOM 779 CB VAL A 46 26.296 18.791 10.369 1.00 0.00 C ATOM 780 CG1 VAL A 46 26.907 20.073 9.800 1.00 0.00 C ATOM 781 CG2 VAL A 46 26.974 17.552 9.781 1.00 0.00 C ATOM 0 H VAL A 46 24.734 17.524 12.280 1.00 0.00 H new ATOM 0 HA VAL A 46 27.423 18.809 12.161 1.00 0.00 H new ATOM 0 HB VAL A 46 25.245 18.765 10.082 1.00 0.00 H new ATOM 0 HG11 VAL A 46 26.844 20.054 8.712 1.00 0.00 H new ATOM 0 HG12 VAL A 46 26.361 20.936 10.180 1.00 0.00 H new ATOM 0 HG13 VAL A 46 27.952 20.143 10.102 1.00 0.00 H new ATOM 0 HG21 VAL A 46 26.910 17.584 8.693 1.00 0.00 H new ATOM 0 HG22 VAL A 46 28.021 17.533 10.083 1.00 0.00 H new ATOM 0 HG23 VAL A 46 26.474 16.655 10.148 1.00 0.00 H new ATOM 791 N LYS A 47 26.078 20.259 13.780 1.00 0.00 N ATOM 792 CA LYS A 47 25.530 21.390 14.509 1.00 0.00 C ATOM 793 C LYS A 47 26.506 22.566 14.425 1.00 0.00 C ATOM 794 O LYS A 47 26.937 23.093 15.449 1.00 0.00 O ATOM 795 CB LYS A 47 25.179 20.984 15.942 1.00 0.00 C ATOM 796 CG LYS A 47 26.429 20.556 16.713 1.00 0.00 C ATOM 797 CD LYS A 47 26.759 21.557 17.822 1.00 0.00 C ATOM 798 CE LYS A 47 26.519 20.944 19.203 1.00 0.00 C ATOM 799 NZ LYS A 47 27.070 21.820 20.261 1.00 0.00 N ATOM 0 H LYS A 47 26.753 19.701 14.303 1.00 0.00 H new ATOM 0 HA LYS A 47 24.594 21.718 14.056 1.00 0.00 H new ATOM 0 HB2 LYS A 47 24.700 21.819 16.453 1.00 0.00 H new ATOM 0 HB3 LYS A 47 24.459 20.165 15.926 1.00 0.00 H new ATOM 0 HG2 LYS A 47 26.273 19.567 17.145 1.00 0.00 H new ATOM 0 HG3 LYS A 47 27.273 20.475 16.028 1.00 0.00 H new ATOM 0 HD2 LYS A 47 27.799 21.871 17.735 1.00 0.00 H new ATOM 0 HD3 LYS A 47 26.145 22.450 17.705 1.00 0.00 H new ATOM 0 HE2 LYS A 47 25.451 20.799 19.362 1.00 0.00 H new ATOM 0 HE3 LYS A 47 26.986 19.960 19.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 26.899 21.390 21.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 28.093 21.937 20.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 26.606 22.750 20.219 1.00 0.00 H new ATOM 812 N LYS A 48 26.825 22.942 13.195 1.00 0.00 N ATOM 813 CA LYS A 48 27.742 24.045 12.964 1.00 0.00 C ATOM 814 C LYS A 48 27.076 25.354 13.395 1.00 0.00 C ATOM 815 O LYS A 48 26.771 26.203 12.559 1.00 0.00 O ATOM 816 CB LYS A 48 28.221 24.048 11.511 1.00 0.00 C ATOM 817 CG LYS A 48 27.037 24.035 10.543 1.00 0.00 C ATOM 818 CD LYS A 48 26.934 25.360 9.785 1.00 0.00 C ATOM 819 CE LYS A 48 27.763 25.321 8.499 1.00 0.00 C ATOM 820 NZ LYS A 48 29.007 26.108 8.661 1.00 0.00 N ATOM 0 H LYS A 48 26.465 22.502 12.348 1.00 0.00 H new ATOM 0 HA LYS A 48 28.640 23.928 13.571 1.00 0.00 H new ATOM 0 HB2 LYS A 48 28.835 24.930 11.329 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.852 23.178 11.331 1.00 0.00 H new ATOM 0 HG2 LYS A 48 27.151 23.215 9.835 1.00 0.00 H new ATOM 0 HG3 LYS A 48 26.114 23.854 11.094 1.00 0.00 H new ATOM 0 HD2 LYS A 48 25.891 25.565 9.544 1.00 0.00 H new ATOM 0 HD3 LYS A 48 27.280 26.175 10.421 1.00 0.00 H new ATOM 0 HE2 LYS A 48 28.008 24.289 8.248 1.00 0.00 H new ATOM 0 HE3 LYS A 48 27.178 25.720 7.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 29.558 26.071 7.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 28.767 27.096 8.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 29.571 25.710 9.439 1.00 0.00 H new ATOM 833 N ILE A 49 26.871 25.475 14.698 1.00 0.00 N ATOM 834 CA ILE A 49 26.247 26.666 15.250 1.00 0.00 C ATOM 835 C ILE A 49 27.116 27.885 14.932 1.00 0.00 C ATOM 836 O ILE A 49 28.183 27.753 14.336 1.00 0.00 O ATOM 837 CB ILE A 49 25.968 26.482 16.743 1.00 0.00 C ATOM 838 CG1 ILE A 49 27.230 26.038 17.486 1.00 0.00 C ATOM 839 CG2 ILE A 49 24.801 25.519 16.968 1.00 0.00 C ATOM 840 CD1 ILE A 49 27.306 26.683 18.871 1.00 0.00 C ATOM 0 H ILE A 49 27.126 24.768 15.388 1.00 0.00 H new ATOM 0 HA ILE A 49 25.275 26.837 14.787 1.00 0.00 H new ATOM 0 HB ILE A 49 25.674 27.446 17.157 1.00 0.00 H new ATOM 0 HG12 ILE A 49 27.235 24.953 17.586 1.00 0.00 H new ATOM 0 HG13 ILE A 49 28.112 26.309 16.906 1.00 0.00 H new ATOM 0 HG21 ILE A 49 24.624 25.406 18.038 1.00 0.00 H new ATOM 0 HG22 ILE A 49 23.905 25.916 16.492 1.00 0.00 H new ATOM 0 HG23 ILE A 49 25.042 24.548 16.536 1.00 0.00 H new ATOM 0 HD11 ILE A 49 28.212 26.351 19.378 1.00 0.00 H new ATOM 0 HD12 ILE A 49 27.326 27.768 18.767 1.00 0.00 H new ATOM 0 HD13 ILE A 49 26.435 26.391 19.457 1.00 0.00 H new ATOM 852 N ASP A 50 26.625 29.045 15.345 1.00 0.00 N ATOM 853 CA ASP A 50 27.343 30.286 15.112 1.00 0.00 C ATOM 854 C ASP A 50 26.663 31.417 15.886 1.00 0.00 C ATOM 855 O ASP A 50 27.334 32.256 16.484 1.00 0.00 O ATOM 856 CB ASP A 50 27.334 30.657 13.627 1.00 0.00 C ATOM 857 CG ASP A 50 28.272 29.829 12.748 1.00 0.00 C ATOM 858 OD1 ASP A 50 29.503 29.936 12.849 1.00 0.00 O ATOM 859 OD2 ASP A 50 27.683 29.035 11.919 1.00 0.00 O ATOM 0 H ASP A 50 25.739 29.151 15.839 1.00 0.00 H new ATOM 0 HA ASP A 50 28.372 30.147 15.443 1.00 0.00 H new ATOM 0 HB2 ASP A 50 26.318 30.551 13.248 1.00 0.00 H new ATOM 0 HB3 ASP A 50 27.603 31.709 13.529 1.00 0.00 H new ATOM 865 N HIS A 51 25.339 31.402 15.850 1.00 0.00 N ATOM 866 CA HIS A 51 24.560 32.416 16.541 1.00 0.00 C ATOM 867 C HIS A 51 25.227 33.782 16.368 1.00 0.00 C ATOM 868 O HIS A 51 25.681 34.383 17.341 1.00 0.00 O ATOM 869 CB HIS A 51 24.356 32.037 18.009 1.00 0.00 C ATOM 870 CG HIS A 51 23.243 32.797 18.690 1.00 0.00 C ATOM 871 ND1 HIS A 51 23.286 34.165 18.897 1.00 0.00 N ATOM 872 CD2 HIS A 51 22.056 32.367 19.207 1.00 0.00 C ATOM 873 CE1 HIS A 51 22.172 34.530 19.513 1.00 0.00 C ATOM 874 NE2 HIS A 51 21.411 33.415 19.705 1.00 0.00 N ATOM 0 H HIS A 51 24.786 30.704 15.353 1.00 0.00 H new ATOM 0 HA HIS A 51 23.565 32.478 16.101 1.00 0.00 H new ATOM 0 HB2 HIS A 51 24.145 30.970 18.072 1.00 0.00 H new ATOM 0 HB3 HIS A 51 25.286 32.211 18.551 1.00 0.00 H new ATOM 0 HD1 HIS A 51 24.047 34.786 18.622 1.00 0.00 H new ATOM 0 HD2 HIS A 51 21.701 31.347 19.211 1.00 0.00 H new ATOM 0 HE1 HIS A 51 21.912 35.535 19.811 1.00 0.00 H new ATOM 882 N ALA A 52 25.266 34.233 15.123 1.00 0.00 N ATOM 883 CA ALA A 52 25.870 35.517 14.810 1.00 0.00 C ATOM 884 C ALA A 52 25.795 35.757 13.301 1.00 0.00 C ATOM 885 O ALA A 52 25.364 34.883 12.550 1.00 0.00 O ATOM 886 CB ALA A 52 27.307 35.546 15.335 1.00 0.00 C ATOM 0 H ALA A 52 24.889 33.732 14.319 1.00 0.00 H new ATOM 0 HA ALA A 52 25.328 36.326 15.299 1.00 0.00 H new ATOM 0 HB1 ALA A 52 27.761 36.509 15.100 1.00 0.00 H new ATOM 0 HB2 ALA A 52 27.303 35.400 16.415 1.00 0.00 H new ATOM 0 HB3 ALA A 52 27.883 34.749 14.864 1.00 0.00 H new ATOM 892 N LYS A 53 26.221 36.947 12.902 1.00 0.00 N ATOM 893 CA LYS A 53 26.207 37.313 11.495 1.00 0.00 C ATOM 894 C LYS A 53 24.778 37.665 11.078 1.00 0.00 C ATOM 895 O LYS A 53 23.910 36.795 11.029 1.00 0.00 O ATOM 896 CB LYS A 53 26.841 36.208 10.648 1.00 0.00 C ATOM 897 CG LYS A 53 28.090 36.718 9.927 1.00 0.00 C ATOM 898 CD LYS A 53 29.360 36.329 10.688 1.00 0.00 C ATOM 899 CE LYS A 53 30.608 36.847 9.972 1.00 0.00 C ATOM 900 NZ LYS A 53 31.826 36.223 10.537 1.00 0.00 N ATOM 0 H LYS A 53 26.578 37.669 13.528 1.00 0.00 H new ATOM 0 HA LYS A 53 26.816 38.201 11.326 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.104 35.363 11.284 1.00 0.00 H new ATOM 0 HB3 LYS A 53 26.118 35.845 9.918 1.00 0.00 H new ATOM 0 HG2 LYS A 53 28.126 36.306 8.918 1.00 0.00 H new ATOM 0 HG3 LYS A 53 28.039 37.802 9.827 1.00 0.00 H new ATOM 0 HD2 LYS A 53 29.321 36.735 11.699 1.00 0.00 H new ATOM 0 HD3 LYS A 53 29.414 35.244 10.782 1.00 0.00 H new ATOM 0 HE2 LYS A 53 30.541 36.628 8.906 1.00 0.00 H new ATOM 0 HE3 LYS A 53 30.668 37.931 10.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 32.664 36.586 10.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 31.897 36.454 11.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 31.774 35.191 10.420 1.00 0.00 H new ATOM 913 N VAL A 54 24.578 38.942 10.788 1.00 0.00 N ATOM 914 CA VAL A 54 23.269 39.420 10.377 1.00 0.00 C ATOM 915 C VAL A 54 22.292 39.288 11.547 1.00 0.00 C ATOM 916 O VAL A 54 21.813 38.193 11.840 1.00 0.00 O ATOM 917 CB VAL A 54 22.808 38.670 9.125 1.00 0.00 C ATOM 918 CG1 VAL A 54 21.453 39.191 8.642 1.00 0.00 C ATOM 919 CG2 VAL A 54 23.857 38.758 8.015 1.00 0.00 C ATOM 0 H VAL A 54 25.301 39.661 10.830 1.00 0.00 H new ATOM 0 HA VAL A 54 23.314 40.476 10.109 1.00 0.00 H new ATOM 0 HB VAL A 54 22.688 37.619 9.389 1.00 0.00 H new ATOM 0 HG11 VAL A 54 21.148 38.641 7.751 1.00 0.00 H new ATOM 0 HG12 VAL A 54 20.709 39.052 9.426 1.00 0.00 H new ATOM 0 HG13 VAL A 54 21.535 40.251 8.404 1.00 0.00 H new ATOM 0 HG21 VAL A 54 23.504 38.217 7.137 1.00 0.00 H new ATOM 0 HG22 VAL A 54 24.024 39.803 7.754 1.00 0.00 H new ATOM 0 HG23 VAL A 54 24.792 38.317 8.362 1.00 0.00 H new ATOM 929 N ARG A 55 22.025 40.419 12.183 1.00 0.00 N ATOM 930 CA ARG A 55 21.113 40.443 13.315 1.00 0.00 C ATOM 931 C ARG A 55 19.689 40.123 12.856 1.00 0.00 C ATOM 932 O ARG A 55 18.852 41.017 12.749 1.00 0.00 O ATOM 933 CB ARG A 55 21.125 41.810 14.002 1.00 0.00 C ATOM 934 CG ARG A 55 22.422 42.020 14.785 1.00 0.00 C ATOM 935 CD ARG A 55 23.426 42.841 13.974 1.00 0.00 C ATOM 936 NE ARG A 55 24.560 43.247 14.833 1.00 0.00 N ATOM 937 CZ ARG A 55 25.348 44.316 14.592 1.00 0.00 C ATOM 938 NH1 ARG A 55 25.131 45.098 13.513 1.00 0.00 N ATOM 939 NH2 ARG A 55 26.334 44.586 15.427 1.00 0.00 N ATOM 0 H ARG A 55 22.424 41.325 11.937 1.00 0.00 H new ATOM 0 HA ARG A 55 21.447 39.688 14.027 1.00 0.00 H new ATOM 0 HB2 ARG A 55 21.015 42.597 13.256 1.00 0.00 H new ATOM 0 HB3 ARG A 55 20.272 41.889 14.676 1.00 0.00 H new ATOM 0 HG2 ARG A 55 22.205 42.529 15.724 1.00 0.00 H new ATOM 0 HG3 ARG A 55 22.858 41.054 15.039 1.00 0.00 H new ATOM 0 HD2 ARG A 55 23.790 42.255 13.130 1.00 0.00 H new ATOM 0 HD3 ARG A 55 22.937 43.724 13.562 1.00 0.00 H new ATOM 0 HE ARG A 55 24.759 42.683 15.660 1.00 0.00 H new ATOM 0 HH11 ARG A 55 24.367 44.883 12.873 1.00 0.00 H new ATOM 0 HH12 ARG A 55 25.731 45.904 13.338 1.00 0.00 H new ATOM 0 HH21 ARG A 55 26.491 43.990 16.240 1.00 0.00 H new ATOM 0 HH22 ARG A 55 26.939 45.390 15.259 1.00 0.00 H new ATOM 952 N LYS A 56 19.459 38.844 12.597 1.00 0.00 N ATOM 953 CA LYS A 56 18.151 38.394 12.153 1.00 0.00 C ATOM 954 C LYS A 56 17.253 38.167 13.371 1.00 0.00 C ATOM 955 O LYS A 56 17.663 38.416 14.503 1.00 0.00 O ATOM 956 CB LYS A 56 18.285 37.166 11.250 1.00 0.00 C ATOM 957 CG LYS A 56 19.160 37.472 10.033 1.00 0.00 C ATOM 958 CD LYS A 56 18.304 37.694 8.784 1.00 0.00 C ATOM 959 CE LYS A 56 17.992 36.367 8.091 1.00 0.00 C ATOM 960 NZ LYS A 56 17.200 36.598 6.862 1.00 0.00 N ATOM 0 H LYS A 56 20.157 38.105 12.686 1.00 0.00 H new ATOM 0 HA LYS A 56 17.672 39.159 11.542 1.00 0.00 H new ATOM 0 HB2 LYS A 56 18.718 36.340 11.815 1.00 0.00 H new ATOM 0 HB3 LYS A 56 17.297 36.843 10.920 1.00 0.00 H new ATOM 0 HG2 LYS A 56 19.763 38.359 10.228 1.00 0.00 H new ATOM 0 HG3 LYS A 56 19.852 36.648 9.862 1.00 0.00 H new ATOM 0 HD2 LYS A 56 17.374 38.192 9.060 1.00 0.00 H new ATOM 0 HD3 LYS A 56 18.827 38.355 8.093 1.00 0.00 H new ATOM 0 HE2 LYS A 56 18.920 35.853 7.841 1.00 0.00 H new ATOM 0 HE3 LYS A 56 17.440 35.716 8.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.997 35.687 6.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 16.306 37.069 7.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 17.740 37.201 6.209 1.00 0.00 H new ATOM 973 N HIS A 57 16.045 37.697 13.096 1.00 0.00 N ATOM 974 CA HIS A 57 15.086 37.434 14.155 1.00 0.00 C ATOM 975 C HIS A 57 14.679 38.752 14.818 1.00 0.00 C ATOM 976 O HIS A 57 14.092 38.752 15.899 1.00 0.00 O ATOM 977 CB HIS A 57 15.643 36.417 15.153 1.00 0.00 C ATOM 978 CG HIS A 57 14.714 36.112 16.303 1.00 0.00 C ATOM 979 ND1 HIS A 57 15.064 36.323 17.625 1.00 0.00 N ATOM 980 CD2 HIS A 57 13.445 35.611 16.315 1.00 0.00 C ATOM 981 CE1 HIS A 57 14.044 35.961 18.390 1.00 0.00 C ATOM 982 NE2 HIS A 57 13.043 35.520 17.577 1.00 0.00 N ATOM 0 H HIS A 57 15.709 37.492 12.155 1.00 0.00 H new ATOM 0 HA HIS A 57 14.187 36.986 13.732 1.00 0.00 H new ATOM 0 HB2 HIS A 57 15.867 35.490 14.625 1.00 0.00 H new ATOM 0 HB3 HIS A 57 16.586 36.793 15.551 1.00 0.00 H new ATOM 0 HD2 HIS A 57 12.866 35.335 15.446 1.00 0.00 H new ATOM 0 HE1 HIS A 57 14.012 36.007 19.469 1.00 0.00 H new ATOM 0 HE2 HIS A 57 12.134 35.176 17.887 1.00 0.00 H new ATOM 990 N GLN A 58 15.007 39.843 14.142 1.00 0.00 N ATOM 991 CA GLN A 58 14.682 41.165 14.651 1.00 0.00 C ATOM 992 C GLN A 58 15.184 41.317 16.089 1.00 0.00 C ATOM 993 O GLN A 58 14.548 40.839 17.026 1.00 0.00 O ATOM 994 CB GLN A 58 13.179 41.432 14.564 1.00 0.00 C ATOM 995 CG GLN A 58 12.808 42.046 13.213 1.00 0.00 C ATOM 996 CD GLN A 58 12.493 40.957 12.184 1.00 0.00 C ATOM 997 OE1 GLN A 58 11.841 39.967 12.470 1.00 0.00 O ATOM 998 NE2 GLN A 58 12.993 41.195 10.975 1.00 0.00 N ATOM 0 H GLN A 58 15.495 39.839 13.246 1.00 0.00 H new ATOM 0 HA GLN A 58 15.185 41.906 14.030 1.00 0.00 H new ATOM 0 HB2 GLN A 58 12.632 40.500 14.706 1.00 0.00 H new ATOM 0 HB3 GLN A 58 12.878 42.104 15.368 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.944 42.700 13.332 1.00 0.00 H new ATOM 0 HG3 GLN A 58 13.630 42.665 12.853 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.530 42.045 10.804 1.00 0.00 H new ATOM 0 HE22 GLN A 58 12.839 40.528 10.219 1.00 0.00 H new ATOM 1007 N ARG A 59 16.321 41.986 16.217 1.00 0.00 N ATOM 1008 CA ARG A 59 16.916 42.207 17.524 1.00 0.00 C ATOM 1009 C ARG A 59 17.881 43.393 17.474 1.00 0.00 C ATOM 1010 O ARG A 59 19.037 43.275 17.878 1.00 0.00 O ATOM 1011 CB ARG A 59 17.669 40.965 18.004 1.00 0.00 C ATOM 1012 CG ARG A 59 18.733 40.543 16.989 1.00 0.00 C ATOM 1013 CD ARG A 59 19.617 39.429 17.553 1.00 0.00 C ATOM 1014 NE ARG A 59 20.600 39.995 18.505 1.00 0.00 N ATOM 1015 CZ ARG A 59 21.545 39.268 19.139 1.00 0.00 C ATOM 1016 NH1 ARG A 59 21.643 37.938 18.927 1.00 0.00 N ATOM 1017 NH2 ARG A 59 22.371 39.877 19.968 1.00 0.00 N ATOM 0 H ARG A 59 16.846 42.382 15.437 1.00 0.00 H new ATOM 0 HA ARG A 59 16.108 42.421 18.224 1.00 0.00 H new ATOM 0 HB2 ARG A 59 18.139 41.170 18.966 1.00 0.00 H new ATOM 0 HB3 ARG A 59 16.966 40.147 18.161 1.00 0.00 H new ATOM 0 HG2 ARG A 59 18.251 40.201 16.073 1.00 0.00 H new ATOM 0 HG3 ARG A 59 19.349 41.402 16.724 1.00 0.00 H new ATOM 0 HD2 ARG A 59 19.000 38.683 18.055 1.00 0.00 H new ATOM 0 HD3 ARG A 59 20.136 38.920 16.741 1.00 0.00 H new ATOM 0 HE ARG A 59 20.561 40.997 18.694 1.00 0.00 H new ATOM 0 HH11 ARG A 59 21.000 37.475 18.284 1.00 0.00 H new ATOM 0 HH12 ARG A 59 22.360 37.396 19.410 1.00 0.00 H new ATOM 0 HH21 ARG A 59 22.290 40.882 20.122 1.00 0.00 H new ATOM 0 HH22 ARG A 59 23.091 39.343 20.455 1.00 0.00 H new ATOM 1030 N LYS A 60 17.372 44.509 16.974 1.00 0.00 N ATOM 1031 CA LYS A 60 18.175 45.716 16.866 1.00 0.00 C ATOM 1032 C LYS A 60 17.285 46.938 17.100 1.00 0.00 C ATOM 1033 O LYS A 60 17.247 47.849 16.275 1.00 0.00 O ATOM 1034 CB LYS A 60 18.921 45.745 15.530 1.00 0.00 C ATOM 1035 CG LYS A 60 17.942 45.735 14.355 1.00 0.00 C ATOM 1036 CD LYS A 60 17.364 44.336 14.134 1.00 0.00 C ATOM 1037 CE LYS A 60 17.083 44.086 12.650 1.00 0.00 C ATOM 1038 NZ LYS A 60 18.350 44.004 11.890 1.00 0.00 N ATOM 0 H LYS A 60 16.413 44.603 16.639 1.00 0.00 H new ATOM 0 HA LYS A 60 18.946 45.731 17.636 1.00 0.00 H new ATOM 0 HB2 LYS A 60 19.547 46.636 15.478 1.00 0.00 H new ATOM 0 HB3 LYS A 60 19.585 44.884 15.462 1.00 0.00 H new ATOM 0 HG2 LYS A 60 17.133 46.441 14.545 1.00 0.00 H new ATOM 0 HG3 LYS A 60 18.451 46.069 13.451 1.00 0.00 H new ATOM 0 HD2 LYS A 60 18.063 43.587 14.507 1.00 0.00 H new ATOM 0 HD3 LYS A 60 16.443 44.225 14.706 1.00 0.00 H new ATOM 0 HE2 LYS A 60 16.520 43.160 12.531 1.00 0.00 H new ATOM 0 HE3 LYS A 60 16.464 44.889 12.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 18.211 43.411 11.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 18.642 44.959 11.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 19.088 43.584 12.490 1.00 0.00 H new ATOM 1051 N PHE A 61 16.591 46.918 18.229 1.00 0.00 N ATOM 1052 CA PHE A 61 15.704 48.013 18.581 1.00 0.00 C ATOM 1053 C PHE A 61 15.176 47.853 20.008 1.00 0.00 C ATOM 1054 O PHE A 61 15.195 46.755 20.562 1.00 0.00 O ATOM 1055 CB PHE A 61 14.526 47.967 17.606 1.00 0.00 C ATOM 1056 CG PHE A 61 13.900 46.580 17.453 1.00 0.00 C ATOM 1057 CD1 PHE A 61 12.951 46.161 18.332 1.00 0.00 C ATOM 1058 CD2 PHE A 61 14.291 45.765 16.436 1.00 0.00 C ATOM 1059 CE1 PHE A 61 12.369 44.874 18.190 1.00 0.00 C ATOM 1060 CE2 PHE A 61 13.710 44.478 16.294 1.00 0.00 C ATOM 1061 CZ PHE A 61 12.761 44.059 17.173 1.00 0.00 C ATOM 0 H PHE A 61 16.625 46.161 18.911 1.00 0.00 H new ATOM 0 HA PHE A 61 16.241 48.960 18.524 1.00 0.00 H new ATOM 0 HB2 PHE A 61 13.760 48.665 17.944 1.00 0.00 H new ATOM 0 HB3 PHE A 61 14.863 48.312 16.629 1.00 0.00 H new ATOM 0 HD1 PHE A 61 12.640 46.808 19.139 1.00 0.00 H new ATOM 0 HD2 PHE A 61 15.044 46.098 15.737 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.615 44.542 18.889 1.00 0.00 H new ATOM 0 HE2 PHE A 61 14.022 43.831 15.487 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.318 43.080 17.064 1.00 0.00 H new ATOM 1071 N LEU A 62 14.717 48.965 20.563 1.00 0.00 N ATOM 1072 CA LEU A 62 14.184 48.962 21.915 1.00 0.00 C ATOM 1073 C LEU A 62 12.686 48.654 21.868 1.00 0.00 C ATOM 1074 O LEU A 62 12.103 48.553 20.790 1.00 0.00 O ATOM 1075 CB LEU A 62 14.520 50.274 22.627 1.00 0.00 C ATOM 1076 CG LEU A 62 13.606 51.461 22.312 1.00 0.00 C ATOM 1077 CD1 LEU A 62 12.792 51.866 23.542 1.00 0.00 C ATOM 1078 CD2 LEU A 62 14.407 52.633 21.743 1.00 0.00 C ATOM 0 H LEU A 62 14.703 49.874 20.101 1.00 0.00 H new ATOM 0 HA LEU A 62 14.653 48.176 22.507 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.496 50.097 23.702 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.543 50.551 22.372 1.00 0.00 H new ATOM 0 HG LEU A 62 12.897 51.153 21.544 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.151 52.711 23.292 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.176 51.026 23.863 1.00 0.00 H new ATOM 0 HD13 LEU A 62 13.468 52.150 24.349 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.734 53.463 21.528 1.00 0.00 H new ATOM 0 HD22 LEU A 62 15.154 52.951 22.471 1.00 0.00 H new ATOM 0 HD23 LEU A 62 14.905 52.322 20.824 1.00 0.00 H new ATOM 1090 N GLN A 63 12.106 48.514 23.051 1.00 0.00 N ATOM 1091 CA GLN A 63 10.687 48.219 23.158 1.00 0.00 C ATOM 1092 C GLN A 63 9.912 49.479 23.550 1.00 0.00 C ATOM 1093 O GLN A 63 9.759 49.775 24.734 1.00 0.00 O ATOM 1094 CB GLN A 63 10.436 47.088 24.157 1.00 0.00 C ATOM 1095 CG GLN A 63 9.034 47.191 24.761 1.00 0.00 C ATOM 1096 CD GLN A 63 8.463 45.803 25.062 1.00 0.00 C ATOM 1097 OE1 GLN A 63 8.198 45.007 24.176 1.00 0.00 O ATOM 1098 NE2 GLN A 63 8.290 45.560 26.358 1.00 0.00 N ATOM 0 H GLN A 63 12.593 48.599 23.943 1.00 0.00 H new ATOM 0 HA GLN A 63 10.330 47.884 22.184 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.551 46.126 23.659 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.182 47.127 24.951 1.00 0.00 H new ATOM 0 HG2 GLN A 63 9.071 47.779 25.678 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.375 47.718 24.071 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.533 46.272 27.047 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.914 44.662 26.663 1.00 0.00 H new ATOM 1107 N ALA A 64 9.443 50.187 22.533 1.00 0.00 N ATOM 1108 CA ALA A 64 8.687 51.408 22.756 1.00 0.00 C ATOM 1109 C ALA A 64 8.271 51.999 21.408 1.00 0.00 C ATOM 1110 O ALA A 64 9.040 52.727 20.782 1.00 0.00 O ATOM 1111 CB ALA A 64 9.525 52.382 23.587 1.00 0.00 C ATOM 0 H ALA A 64 9.572 49.938 21.552 1.00 0.00 H new ATOM 0 HA ALA A 64 7.777 51.199 23.318 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.959 53.298 23.755 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.769 51.925 24.546 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.446 52.617 23.053 1.00 0.00 H new ATOM 1117 N ILE A 65 7.056 51.663 21.000 1.00 0.00 N ATOM 1118 CA ILE A 65 6.529 52.152 19.737 1.00 0.00 C ATOM 1119 C ILE A 65 5.830 53.493 19.966 1.00 0.00 C ATOM 1120 O ILE A 65 5.485 54.189 19.012 1.00 0.00 O ATOM 1121 CB ILE A 65 5.635 51.096 19.085 1.00 0.00 C ATOM 1122 CG1 ILE A 65 4.179 51.263 19.523 1.00 0.00 C ATOM 1123 CG2 ILE A 65 6.159 49.686 19.364 1.00 0.00 C ATOM 1124 CD1 ILE A 65 3.353 51.944 18.430 1.00 0.00 C ATOM 0 H ILE A 65 6.421 51.058 21.522 1.00 0.00 H new ATOM 0 HA ILE A 65 7.339 52.331 19.030 1.00 0.00 H new ATOM 0 HB ILE A 65 5.665 51.243 18.005 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.750 50.288 19.753 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.136 51.854 20.438 1.00 0.00 H new ATOM 0 HG21 ILE A 65 5.505 48.954 18.889 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.167 49.586 18.962 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.178 49.511 20.440 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.322 52.051 18.767 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.770 52.929 18.219 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.378 51.338 17.524 1.00 0.00 H new ATOM 1136 N HIS A 66 5.641 53.816 21.237 1.00 0.00 N ATOM 1137 CA HIS A 66 4.988 55.062 21.604 1.00 0.00 C ATOM 1138 C HIS A 66 6.033 56.061 22.102 1.00 0.00 C ATOM 1139 O HIS A 66 5.796 56.783 23.070 1.00 0.00 O ATOM 1140 CB HIS A 66 3.874 54.812 22.622 1.00 0.00 C ATOM 1141 CG HIS A 66 2.524 55.338 22.197 1.00 0.00 C ATOM 1142 ND1 HIS A 66 1.336 54.713 22.534 1.00 0.00 N ATOM 1143 CD2 HIS A 66 2.186 56.435 21.460 1.00 0.00 C ATOM 1144 CE1 HIS A 66 0.335 55.410 22.017 1.00 0.00 C ATOM 1145 NE2 HIS A 66 0.864 56.477 21.351 1.00 0.00 N ATOM 0 H HIS A 66 5.928 53.237 22.026 1.00 0.00 H new ATOM 0 HA HIS A 66 4.508 55.498 20.727 1.00 0.00 H new ATOM 0 HB2 HIS A 66 3.794 53.740 22.802 1.00 0.00 H new ATOM 0 HB3 HIS A 66 4.151 55.275 23.569 1.00 0.00 H new ATOM 0 HD2 HIS A 66 2.877 57.149 21.037 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -0.715 55.175 22.107 1.00 0.00 H new ATOM 0 HE2 HIS A 66 0.331 57.189 20.852 1.00 0.00 H new ATOM 1153 N GLN A 67 7.168 56.072 21.419 1.00 0.00 N ATOM 1154 CA GLN A 67 8.251 56.971 21.780 1.00 0.00 C ATOM 1155 C GLN A 67 8.716 56.695 23.211 1.00 0.00 C ATOM 1156 O GLN A 67 8.070 55.947 23.944 1.00 0.00 O ATOM 1157 CB GLN A 67 7.829 58.432 21.612 1.00 0.00 C ATOM 1158 CG GLN A 67 8.954 59.259 20.986 1.00 0.00 C ATOM 1159 CD GLN A 67 8.823 60.737 21.363 1.00 0.00 C ATOM 1160 OE1 GLN A 67 9.306 61.188 22.389 1.00 0.00 O ATOM 1161 NE2 GLN A 67 8.144 61.462 20.479 1.00 0.00 N ATOM 0 H GLN A 67 7.361 55.472 20.617 1.00 0.00 H new ATOM 0 HA GLN A 67 9.088 56.789 21.106 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.940 58.487 20.984 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.561 58.851 22.582 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.919 58.879 21.321 1.00 0.00 H new ATOM 0 HG3 GLN A 67 8.928 59.153 19.901 1.00 0.00 H new ATOM 0 HE21 GLN A 67 7.766 61.021 19.640 1.00 0.00 H new ATOM 0 HE22 GLN A 67 8.001 62.459 20.640 1.00 0.00 H new ATOM 1170 N LEU A 68 9.832 57.314 23.567 1.00 0.00 N ATOM 1171 CA LEU A 68 10.390 57.145 24.898 1.00 0.00 C ATOM 1172 C LEU A 68 9.489 57.846 25.917 1.00 0.00 C ATOM 1173 O LEU A 68 9.450 59.074 25.975 1.00 0.00 O ATOM 1174 CB LEU A 68 11.844 57.618 24.933 1.00 0.00 C ATOM 1175 CG LEU A 68 12.823 56.845 24.047 1.00 0.00 C ATOM 1176 CD1 LEU A 68 14.113 57.640 23.832 1.00 0.00 C ATOM 1177 CD2 LEU A 68 13.097 55.453 24.619 1.00 0.00 C ATOM 0 H LEU A 68 10.365 57.934 22.957 1.00 0.00 H new ATOM 0 HA LEU A 68 10.416 56.090 25.169 1.00 0.00 H new ATOM 0 HB2 LEU A 68 11.871 58.668 24.640 1.00 0.00 H new ATOM 0 HB3 LEU A 68 12.198 57.565 25.963 1.00 0.00 H new ATOM 0 HG LEU A 68 12.363 56.707 23.069 1.00 0.00 H new ATOM 0 HD11 LEU A 68 14.792 57.068 23.199 1.00 0.00 H new ATOM 0 HD12 LEU A 68 13.879 58.589 23.349 1.00 0.00 H new ATOM 0 HD13 LEU A 68 14.588 57.830 24.794 1.00 0.00 H new ATOM 0 HD21 LEU A 68 13.796 54.924 23.971 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.528 55.548 25.616 1.00 0.00 H new ATOM 0 HD23 LEU A 68 12.163 54.894 24.679 1.00 0.00 H new ATOM 1189 N ARG A 69 8.788 57.035 26.696 1.00 0.00 N ATOM 1190 CA ARG A 69 7.891 57.562 27.709 1.00 0.00 C ATOM 1191 C ARG A 69 8.512 58.788 28.383 1.00 0.00 C ATOM 1192 O ARG A 69 9.734 58.897 28.476 1.00 0.00 O ATOM 1193 CB ARG A 69 7.580 56.507 28.773 1.00 0.00 C ATOM 1194 CG ARG A 69 6.255 55.803 28.477 1.00 0.00 C ATOM 1195 CD ARG A 69 5.305 55.896 29.673 1.00 0.00 C ATOM 1196 NE ARG A 69 4.612 54.603 29.869 1.00 0.00 N ATOM 1197 CZ ARG A 69 3.779 54.340 30.899 1.00 0.00 C ATOM 1198 NH1 ARG A 69 3.529 55.280 31.835 1.00 0.00 N ATOM 1199 NH2 ARG A 69 3.213 53.150 30.976 1.00 0.00 N ATOM 0 H ARG A 69 8.824 56.017 26.646 1.00 0.00 H new ATOM 0 HA ARG A 69 6.963 57.846 27.213 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.385 55.773 28.809 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.534 56.978 29.755 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.788 56.253 27.601 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.441 54.756 28.236 1.00 0.00 H new ATOM 0 HD2 ARG A 69 5.863 56.159 30.572 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.575 56.688 29.508 1.00 0.00 H new ATOM 0 HE ARG A 69 4.774 53.865 29.184 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.970 56.197 31.767 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.899 55.073 32.610 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.407 52.446 30.264 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.581 52.935 31.747 1.00 0.00 H new ATOM 1212 N SER A 70 7.642 59.679 28.835 1.00 0.00 N ATOM 1213 CA SER A 70 8.090 60.893 29.497 1.00 0.00 C ATOM 1214 C SER A 70 8.928 61.736 28.533 1.00 0.00 C ATOM 1215 O SER A 70 9.779 61.207 27.819 1.00 0.00 O ATOM 1216 CB SER A 70 8.896 60.568 30.756 1.00 0.00 C ATOM 1217 OG SER A 70 8.236 59.613 31.581 1.00 0.00 O ATOM 0 H SER A 70 6.629 59.585 28.756 1.00 0.00 H new ATOM 0 HA SER A 70 7.211 61.463 29.798 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.876 60.185 30.470 1.00 0.00 H new ATOM 0 HB3 SER A 70 9.065 61.483 31.324 1.00 0.00 H new ATOM 0 HG SER A 70 8.783 59.431 32.373 1.00 0.00 H new ATOM 1223 N VAL A 71 8.658 63.033 28.544 1.00 0.00 N ATOM 1224 CA VAL A 71 9.376 63.954 27.679 1.00 0.00 C ATOM 1225 C VAL A 71 8.948 65.387 28.001 1.00 0.00 C ATOM 1226 O VAL A 71 9.775 66.298 28.015 1.00 0.00 O ATOM 1227 CB VAL A 71 9.153 63.578 26.213 1.00 0.00 C ATOM 1228 CG1 VAL A 71 7.710 63.859 25.789 1.00 0.00 C ATOM 1229 CG2 VAL A 71 10.144 64.306 25.303 1.00 0.00 C ATOM 0 H VAL A 71 7.952 63.468 29.138 1.00 0.00 H new ATOM 0 HA VAL A 71 10.449 63.887 27.857 1.00 0.00 H new ATOM 0 HB VAL A 71 9.330 62.507 26.111 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.578 63.583 24.743 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.029 63.274 26.407 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.494 64.920 25.914 1.00 0.00 H new ATOM 0 HG21 VAL A 71 9.964 64.021 24.267 1.00 0.00 H new ATOM 0 HG22 VAL A 71 10.014 65.383 25.411 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.162 64.034 25.582 1.00 0.00 H new ATOM 1239 N LYS A 72 7.656 65.543 28.251 1.00 0.00 N ATOM 1240 CA LYS A 72 7.108 66.850 28.571 1.00 0.00 C ATOM 1241 C LYS A 72 5.987 66.690 29.601 1.00 0.00 C ATOM 1242 O LYS A 72 4.810 66.680 29.245 1.00 0.00 O ATOM 1243 CB LYS A 72 6.673 67.576 27.297 1.00 0.00 C ATOM 1244 CG LYS A 72 7.825 68.397 26.713 1.00 0.00 C ATOM 1245 CD LYS A 72 7.470 69.884 26.667 1.00 0.00 C ATOM 1246 CE LYS A 72 6.710 70.227 25.384 1.00 0.00 C ATOM 1247 NZ LYS A 72 5.333 70.668 25.699 1.00 0.00 N ATOM 0 H LYS A 72 6.973 64.786 28.238 1.00 0.00 H new ATOM 0 HA LYS A 72 7.871 67.482 29.025 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.329 66.850 26.560 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.830 68.231 27.517 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.722 68.252 27.316 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.056 68.043 25.708 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.863 70.143 27.534 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.380 70.481 26.725 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.235 71.014 24.843 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.678 69.356 24.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.831 70.897 24.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.829 69.906 26.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.369 71.512 26.306 1.00 0.00 H new ATOM 1260 N MET A 73 6.393 66.569 30.856 1.00 0.00 N ATOM 1261 CA MET A 73 5.438 66.410 31.939 1.00 0.00 C ATOM 1262 C MET A 73 4.766 67.742 32.278 1.00 0.00 C ATOM 1263 O MET A 73 3.632 67.990 31.872 1.00 0.00 O ATOM 1264 CB MET A 73 6.156 65.870 33.178 1.00 0.00 C ATOM 1265 CG MET A 73 6.311 64.349 33.102 1.00 0.00 C ATOM 1266 SD MET A 73 5.495 63.583 34.493 1.00 0.00 S ATOM 1267 CE MET A 73 6.910 62.919 35.355 1.00 0.00 C ATOM 0 H MET A 73 7.371 66.578 31.147 1.00 0.00 H new ATOM 0 HA MET A 73 4.668 65.708 31.619 1.00 0.00 H new ATOM 0 HB2 MET A 73 7.138 66.335 33.266 1.00 0.00 H new ATOM 0 HB3 MET A 73 5.595 66.138 34.073 1.00 0.00 H new ATOM 0 HG2 MET A 73 5.885 63.978 32.170 1.00 0.00 H new ATOM 0 HG3 MET A 73 7.368 64.082 33.098 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.578 62.403 36.256 1.00 0.00 H new ATOM 0 HE2 MET A 73 7.434 62.216 34.707 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.583 63.731 35.629 1.00 0.00 H new ATOM 1277 N GLU A 74 5.495 68.564 33.019 1.00 0.00 N ATOM 1278 CA GLU A 74 4.984 69.864 33.417 1.00 0.00 C ATOM 1279 C GLU A 74 6.024 70.951 33.138 1.00 0.00 C ATOM 1280 O GLU A 74 5.868 72.091 33.573 1.00 0.00 O ATOM 1281 CB GLU A 74 4.573 69.864 34.891 1.00 0.00 C ATOM 1282 CG GLU A 74 4.096 68.478 35.327 1.00 0.00 C ATOM 1283 CD GLU A 74 3.080 68.581 36.467 1.00 0.00 C ATOM 1284 OE1 GLU A 74 3.209 69.457 37.334 1.00 0.00 O ATOM 1285 OE2 GLU A 74 2.130 67.710 36.431 1.00 0.00 O ATOM 0 H GLU A 74 6.435 68.354 33.354 1.00 0.00 H new ATOM 0 HA GLU A 74 4.094 70.079 32.826 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.417 70.173 35.508 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.778 70.593 35.051 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.646 67.961 34.479 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.949 67.880 35.648 1.00 0.00 H new ATOM 1293 N GLN A 75 7.063 70.560 32.414 1.00 0.00 N ATOM 1294 CA GLN A 75 8.128 71.487 32.072 1.00 0.00 C ATOM 1295 C GLN A 75 7.544 72.775 31.488 1.00 0.00 C ATOM 1296 O GLN A 75 6.537 72.740 30.782 1.00 0.00 O ATOM 1297 CB GLN A 75 9.121 70.846 31.101 1.00 0.00 C ATOM 1298 CG GLN A 75 10.323 70.266 31.849 1.00 0.00 C ATOM 1299 CD GLN A 75 10.429 68.755 31.629 1.00 0.00 C ATOM 1300 OE1 GLN A 75 10.262 68.249 30.531 1.00 0.00 O ATOM 1301 NE2 GLN A 75 10.715 68.067 32.730 1.00 0.00 N ATOM 0 H GLN A 75 7.190 69.614 32.055 1.00 0.00 H new ATOM 0 HA GLN A 75 8.671 71.738 32.983 1.00 0.00 H new ATOM 0 HB2 GLN A 75 8.625 70.057 30.536 1.00 0.00 H new ATOM 0 HB3 GLN A 75 9.461 71.589 30.380 1.00 0.00 H new ATOM 0 HG2 GLN A 75 11.237 70.752 31.508 1.00 0.00 H new ATOM 0 HG3 GLN A 75 10.229 70.476 32.914 1.00 0.00 H new ATOM 0 HE21 GLN A 75 10.842 68.554 33.617 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.807 67.052 32.688 1.00 0.00 H new ATOM 1310 N ARG A 76 8.201 73.881 31.804 1.00 0.00 N ATOM 1311 CA ARG A 76 7.759 75.178 31.320 1.00 0.00 C ATOM 1312 C ARG A 76 6.354 75.489 31.840 1.00 0.00 C ATOM 1313 O ARG A 76 5.449 74.665 31.722 1.00 0.00 O ATOM 1314 CB ARG A 76 7.750 75.221 29.791 1.00 0.00 C ATOM 1315 CG ARG A 76 9.176 75.238 29.235 1.00 0.00 C ATOM 1316 CD ARG A 76 9.243 76.024 27.924 1.00 0.00 C ATOM 1317 NE ARG A 76 9.067 75.108 26.775 1.00 0.00 N ATOM 1318 CZ ARG A 76 8.650 75.499 25.552 1.00 0.00 C ATOM 1319 NH1 ARG A 76 8.362 76.796 25.309 1.00 0.00 N ATOM 1320 NH2 ARG A 76 8.527 74.595 24.598 1.00 0.00 N ATOM 0 H ARG A 76 9.036 73.906 32.389 1.00 0.00 H new ATOM 0 HA ARG A 76 8.460 75.926 31.690 1.00 0.00 H new ATOM 0 HB2 ARG A 76 7.214 74.355 29.402 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.213 76.107 29.452 1.00 0.00 H new ATOM 0 HG2 ARG A 76 9.850 75.685 29.966 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.518 74.216 29.069 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.469 76.791 27.910 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.201 76.537 27.847 1.00 0.00 H new ATOM 0 HE ARG A 76 9.274 74.119 26.916 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.459 77.488 26.052 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.048 77.084 24.382 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.746 73.618 24.790 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.213 74.874 23.668 1.00 0.00 H new ATOM 1333 N LYS A 77 6.217 76.679 32.405 1.00 0.00 N ATOM 1334 CA LYS A 77 4.938 77.109 32.944 1.00 0.00 C ATOM 1335 C LYS A 77 4.514 78.412 32.263 1.00 0.00 C ATOM 1336 O LYS A 77 5.283 79.371 32.217 1.00 0.00 O ATOM 1337 CB LYS A 77 5.004 77.206 34.469 1.00 0.00 C ATOM 1338 CG LYS A 77 4.053 76.201 35.124 1.00 0.00 C ATOM 1339 CD LYS A 77 4.042 76.368 36.645 1.00 0.00 C ATOM 1340 CE LYS A 77 3.764 75.034 37.341 1.00 0.00 C ATOM 1341 NZ LYS A 77 4.862 74.698 38.275 1.00 0.00 N ATOM 0 H LYS A 77 6.971 77.359 32.501 1.00 0.00 H new ATOM 0 HA LYS A 77 4.166 76.370 32.728 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.024 77.019 34.805 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.744 78.217 34.784 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.045 76.340 34.732 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.358 75.186 34.868 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.002 76.763 36.978 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.282 77.096 36.929 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.821 75.090 37.884 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.657 74.244 36.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.658 73.790 38.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.756 74.624 37.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.945 75.444 38.995 1.00 0.00 H new ATOM 1354 N LEU A 78 3.292 78.405 31.751 1.00 0.00 N ATOM 1355 CA LEU A 78 2.757 79.574 31.075 1.00 0.00 C ATOM 1356 C LEU A 78 3.234 80.837 31.794 1.00 0.00 C ATOM 1357 O LEU A 78 3.551 80.797 32.982 1.00 0.00 O ATOM 1358 CB LEU A 78 1.235 79.473 30.953 1.00 0.00 C ATOM 1359 CG LEU A 78 0.702 78.942 29.622 1.00 0.00 C ATOM 1360 CD1 LEU A 78 -0.062 77.631 29.821 1.00 0.00 C ATOM 1361 CD2 LEU A 78 -0.146 79.997 28.910 1.00 0.00 C ATOM 0 H LEU A 78 2.657 77.608 31.791 1.00 0.00 H new ATOM 0 HA LEU A 78 3.132 79.628 30.053 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.869 78.828 31.752 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.811 80.463 31.123 1.00 0.00 H new ATOM 0 HG LEU A 78 1.553 78.724 28.976 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.430 77.275 28.859 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.604 76.884 30.254 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.904 77.799 30.492 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.512 79.593 27.966 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.992 80.270 29.541 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.461 80.881 28.715 1.00 0.00 H new ATOM 1373 N ASN A 79 3.271 81.929 31.045 1.00 0.00 N ATOM 1374 CA ASN A 79 3.704 83.201 31.596 1.00 0.00 C ATOM 1375 C ASN A 79 3.450 84.309 30.572 1.00 0.00 C ATOM 1376 O ASN A 79 3.024 85.406 30.931 1.00 0.00 O ATOM 1377 CB ASN A 79 5.201 83.184 31.913 1.00 0.00 C ATOM 1378 CG ASN A 79 5.466 83.678 33.336 1.00 0.00 C ATOM 1379 OD1 ASN A 79 5.343 82.950 34.307 1.00 0.00 O ATOM 1380 ND2 ASN A 79 5.838 84.953 33.405 1.00 0.00 N ATOM 0 H ASN A 79 3.008 81.959 30.060 1.00 0.00 H new ATOM 0 HA ASN A 79 3.143 83.379 32.514 1.00 0.00 H new ATOM 0 HB2 ASN A 79 5.589 82.172 31.797 1.00 0.00 H new ATOM 0 HB3 ASN A 79 5.734 83.813 31.201 1.00 0.00 H new ATOM 0 HD21 ASN A 79 6.040 85.377 34.310 1.00 0.00 H new ATOM 0 HD22 ASN A 79 5.922 85.507 32.552 1.00 0.00 H new ATOM 1387 N ASP A 80 3.722 83.985 29.317 1.00 0.00 N ATOM 1388 CA ASP A 80 3.529 84.939 28.238 1.00 0.00 C ATOM 1389 C ASP A 80 4.024 86.315 28.686 1.00 0.00 C ATOM 1390 O ASP A 80 3.251 87.119 29.205 1.00 0.00 O ATOM 1391 CB ASP A 80 2.048 85.065 27.873 1.00 0.00 C ATOM 1392 CG ASP A 80 1.613 84.255 26.650 1.00 0.00 C ATOM 1393 OD1 ASP A 80 0.611 83.526 26.691 1.00 0.00 O ATOM 1394 OD2 ASP A 80 2.360 84.398 25.608 1.00 0.00 O ATOM 0 H ASP A 80 4.075 83.074 29.023 1.00 0.00 H new ATOM 0 HA ASP A 80 4.086 84.585 27.370 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.450 84.752 28.729 1.00 0.00 H new ATOM 0 HB3 ASP A 80 1.822 86.116 27.693 1.00 0.00 H new ATOM 1400 N GLN A 81 5.311 86.545 28.468 1.00 0.00 N ATOM 1401 CA GLN A 81 5.918 87.811 28.843 1.00 0.00 C ATOM 1402 C GLN A 81 5.733 88.066 30.340 1.00 0.00 C ATOM 1403 O GLN A 81 4.863 87.469 30.972 1.00 0.00 O ATOM 1404 CB GLN A 81 5.343 88.962 28.015 1.00 0.00 C ATOM 1405 CG GLN A 81 6.434 89.967 27.641 1.00 0.00 C ATOM 1406 CD GLN A 81 6.370 90.317 26.153 1.00 0.00 C ATOM 1407 OE1 GLN A 81 7.245 89.982 25.371 1.00 0.00 O ATOM 1408 NE2 GLN A 81 5.287 91.008 25.806 1.00 0.00 N ATOM 0 H GLN A 81 5.949 85.877 28.037 1.00 0.00 H new ATOM 0 HA GLN A 81 6.986 87.755 28.633 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.881 88.568 27.110 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.559 89.465 28.580 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.319 90.873 28.237 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.413 89.551 27.879 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.593 91.256 26.511 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.151 91.290 24.835 1.00 0.00 H new ATOM 1417 N ALA A 82 6.565 88.954 30.864 1.00 0.00 N ATOM 1418 CA ALA A 82 6.504 89.296 32.275 1.00 0.00 C ATOM 1419 C ALA A 82 5.972 90.723 32.427 1.00 0.00 C ATOM 1420 O ALA A 82 5.485 91.097 33.492 1.00 0.00 O ATOM 1421 CB ALA A 82 7.887 89.119 32.904 1.00 0.00 C ATOM 0 H ALA A 82 7.285 89.447 30.337 1.00 0.00 H new ATOM 0 HA ALA A 82 5.819 88.631 32.802 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.841 89.376 33.962 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.206 88.082 32.796 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.601 89.773 32.403 1.00 0.00 H new ATOM 1427 N ASN A 83 6.084 91.480 31.346 1.00 0.00 N ATOM 1428 CA ASN A 83 5.621 92.858 31.346 1.00 0.00 C ATOM 1429 C ASN A 83 5.498 93.350 29.902 1.00 0.00 C ATOM 1430 O ASN A 83 6.466 93.310 29.144 1.00 0.00 O ATOM 1431 CB ASN A 83 6.609 93.771 32.074 1.00 0.00 C ATOM 1432 CG ASN A 83 6.067 94.183 33.444 1.00 0.00 C ATOM 1433 OD1 ASN A 83 6.029 95.498 33.638 1.00 0.00 O flip ATOM 1434 ND2 ASN A 83 5.707 93.361 34.271 1.00 0.00 N flip ATOM 0 H ASN A 83 6.488 91.166 30.464 1.00 0.00 H new ATOM 0 HA ASN A 83 4.658 92.890 31.855 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.563 93.257 32.196 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.800 94.660 31.472 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.763 92.365 34.058 1.00 0.00 H new ATOM 0 HD22 ASN A 83 5.350 93.670 35.175 1.00 0.00 H new ATOM 1441 N THR A 84 4.299 93.802 29.565 1.00 0.00 N ATOM 1442 CA THR A 84 4.037 94.301 28.226 1.00 0.00 C ATOM 1443 C THR A 84 4.411 95.781 28.126 1.00 0.00 C ATOM 1444 O THR A 84 4.941 96.224 27.108 1.00 0.00 O ATOM 1445 CB THR A 84 2.570 94.021 27.896 1.00 0.00 C ATOM 1446 OG1 THR A 84 2.297 94.867 26.782 1.00 0.00 O ATOM 1447 CG2 THR A 84 1.619 94.521 28.985 1.00 0.00 C ATOM 0 H THR A 84 3.498 93.833 30.196 1.00 0.00 H new ATOM 0 HA THR A 84 4.654 93.792 27.486 1.00 0.00 H new ATOM 0 HB THR A 84 2.428 92.950 27.754 1.00 0.00 H new ATOM 0 HG1 THR A 84 1.366 94.748 26.501 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.591 94.297 28.701 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.851 94.025 29.927 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.736 95.598 29.104 1.00 0.00 H new ATOM 1455 N LEU A 85 4.119 96.506 29.196 1.00 0.00 N ATOM 1456 CA LEU A 85 4.417 97.927 29.242 1.00 0.00 C ATOM 1457 C LEU A 85 5.194 98.240 30.522 1.00 0.00 C ATOM 1458 O LEU A 85 6.414 98.091 30.565 1.00 0.00 O ATOM 1459 CB LEU A 85 3.137 98.749 29.083 1.00 0.00 C ATOM 1460 CG LEU A 85 1.894 98.197 29.784 1.00 0.00 C ATOM 1461 CD1 LEU A 85 1.222 99.274 30.637 1.00 0.00 C ATOM 1462 CD2 LEU A 85 0.925 97.578 28.774 1.00 0.00 C ATOM 0 H LEU A 85 3.679 96.135 30.038 1.00 0.00 H new ATOM 0 HA LEU A 85 5.055 98.209 28.404 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.325 99.755 29.459 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.919 98.842 28.019 1.00 0.00 H new ATOM 0 HG LEU A 85 2.208 97.401 30.459 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.341 98.855 31.124 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.922 99.628 31.394 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.923 100.108 30.001 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.050 97.193 29.298 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.613 98.337 28.056 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.420 96.762 28.247 1.00 0.00 H new ATOM 1474 N VAL A 86 4.455 98.668 31.535 1.00 0.00 N ATOM 1475 CA VAL A 86 5.058 99.004 32.813 1.00 0.00 C ATOM 1476 C VAL A 86 3.988 98.958 33.906 1.00 0.00 C ATOM 1477 O VAL A 86 3.474 99.996 34.320 1.00 0.00 O ATOM 1478 CB VAL A 86 5.761 100.359 32.721 1.00 0.00 C ATOM 1479 CG1 VAL A 86 4.769 101.467 32.361 1.00 0.00 C ATOM 1480 CG2 VAL A 86 6.499 100.685 34.021 1.00 0.00 C ATOM 0 H VAL A 86 3.443 98.790 31.496 1.00 0.00 H new ATOM 0 HA VAL A 86 5.823 98.274 33.077 1.00 0.00 H new ATOM 0 HB VAL A 86 6.501 100.298 31.923 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.294 102.420 32.302 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.310 101.245 31.398 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.996 101.526 33.127 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.990 101.654 33.928 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.787 100.717 34.846 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.247 99.917 34.217 1.00 0.00 H new ATOM 1490 N ASP A 87 3.683 97.745 34.341 1.00 0.00 N ATOM 1491 CA ASP A 87 2.683 97.551 35.377 1.00 0.00 C ATOM 1492 C ASP A 87 1.345 98.121 34.902 1.00 0.00 C ATOM 1493 O ASP A 87 1.046 99.290 35.139 1.00 0.00 O ATOM 1494 CB ASP A 87 3.076 98.277 36.665 1.00 0.00 C ATOM 1495 CG ASP A 87 4.271 97.676 37.408 1.00 0.00 C ATOM 1496 OD1 ASP A 87 4.107 96.865 38.331 1.00 0.00 O ATOM 1497 OD2 ASP A 87 5.426 98.079 36.998 1.00 0.00 O ATOM 0 H ASP A 87 4.111 96.886 33.995 1.00 0.00 H new ATOM 0 HA ASP A 87 2.606 96.482 35.575 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.302 99.316 36.424 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.217 98.285 37.336 1.00 0.00 H new ATOM 1503 N LEU A 88 0.577 97.268 34.240 1.00 0.00 N ATOM 1504 CA LEU A 88 -0.722 97.673 33.730 1.00 0.00 C ATOM 1505 C LEU A 88 -1.788 97.410 34.795 1.00 0.00 C ATOM 1506 O LEU A 88 -2.981 97.400 34.495 1.00 0.00 O ATOM 1507 CB LEU A 88 -1.008 96.988 32.392 1.00 0.00 C ATOM 1508 CG LEU A 88 -1.645 95.599 32.471 1.00 0.00 C ATOM 1509 CD1 LEU A 88 -2.976 95.562 31.717 1.00 0.00 C ATOM 1510 CD2 LEU A 88 -0.676 94.523 31.978 1.00 0.00 C ATOM 0 H LEU A 88 0.829 96.299 34.045 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.734 98.743 33.524 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.664 97.634 31.809 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.071 96.905 31.841 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.862 95.382 33.517 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.407 94.564 31.789 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.663 96.286 32.155 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.807 95.810 30.669 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.153 93.545 32.045 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.405 94.725 30.942 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.222 94.531 32.596 1.00 0.00 H new ATOM 1522 N ALA A 89 -1.319 97.205 36.017 1.00 0.00 N ATOM 1523 CA ALA A 89 -2.218 96.943 37.129 1.00 0.00 C ATOM 1524 C ALA A 89 -3.134 95.770 36.774 1.00 0.00 C ATOM 1525 O ALA A 89 -4.355 95.917 36.748 1.00 0.00 O ATOM 1526 CB ALA A 89 -3.001 98.214 37.462 1.00 0.00 C ATOM 0 H ALA A 89 -0.329 97.215 36.262 1.00 0.00 H new ATOM 0 HA ALA A 89 -1.655 96.663 38.020 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.675 98.018 38.296 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.306 99.008 37.736 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.580 98.523 36.592 1.00 0.00 H new ATOM 1532 N LYS A 90 -2.509 94.632 36.509 1.00 0.00 N ATOM 1533 CA LYS A 90 -3.252 93.434 36.157 1.00 0.00 C ATOM 1534 C LYS A 90 -4.323 93.790 35.123 1.00 0.00 C ATOM 1535 O LYS A 90 -4.165 94.744 34.363 1.00 0.00 O ATOM 1536 CB LYS A 90 -3.809 92.761 37.412 1.00 0.00 C ATOM 1537 CG LYS A 90 -3.531 91.256 37.397 1.00 0.00 C ATOM 1538 CD LYS A 90 -2.269 90.924 38.195 1.00 0.00 C ATOM 1539 CE LYS A 90 -1.050 90.818 37.276 1.00 0.00 C ATOM 1540 NZ LYS A 90 0.132 91.445 37.909 1.00 0.00 N ATOM 0 H LYS A 90 -1.496 94.514 36.531 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.593 92.699 35.695 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.360 93.208 38.299 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -4.883 92.935 37.476 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.383 90.721 37.817 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.416 90.914 36.368 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.096 91.695 38.946 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.409 89.984 38.729 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.841 89.771 37.059 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.261 91.305 36.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.950 91.364 37.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.065 92.449 38.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.342 90.962 38.806 1.00 0.00 H new ATOM 1553 N THR A 91 -5.389 93.004 35.129 1.00 0.00 N ATOM 1554 CA THR A 91 -6.486 93.223 34.201 1.00 0.00 C ATOM 1555 C THR A 91 -5.950 93.640 32.830 1.00 0.00 C ATOM 1556 O THR A 91 -5.892 94.828 32.517 1.00 0.00 O ATOM 1557 CB THR A 91 -7.431 94.254 34.822 1.00 0.00 C ATOM 1558 OG1 THR A 91 -6.751 95.495 34.655 1.00 0.00 O ATOM 1559 CG2 THR A 91 -7.553 94.097 36.339 1.00 0.00 C ATOM 0 H THR A 91 -5.517 92.214 35.762 1.00 0.00 H new ATOM 0 HA THR A 91 -7.048 92.305 34.030 1.00 0.00 H new ATOM 0 HB THR A 91 -8.417 94.162 34.367 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.892 95.340 34.210 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.235 94.853 36.729 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.939 93.105 36.572 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.572 94.222 36.798 1.00 0.00 H new ATOM 1567 N GLN A 92 -5.571 92.638 32.049 1.00 0.00 N ATOM 1568 CA GLN A 92 -5.042 92.885 30.719 1.00 0.00 C ATOM 1569 C GLN A 92 -6.010 92.362 29.657 1.00 0.00 C ATOM 1570 O GLN A 92 -5.620 91.589 28.783 1.00 0.00 O ATOM 1571 CB GLN A 92 -3.656 92.257 30.555 1.00 0.00 C ATOM 1572 CG GLN A 92 -3.753 90.733 30.459 1.00 0.00 C ATOM 1573 CD GLN A 92 -3.285 90.240 29.088 1.00 0.00 C ATOM 1574 OE1 GLN A 92 -2.667 90.958 28.319 1.00 0.00 O ATOM 1575 NE2 GLN A 92 -3.612 88.978 28.827 1.00 0.00 N ATOM 0 H GLN A 92 -5.620 91.654 32.313 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.935 93.962 30.586 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -3.178 92.652 29.659 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -3.026 92.532 31.400 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.146 90.276 31.241 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.783 90.419 30.631 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -4.131 88.433 29.516 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -3.344 88.555 27.938 1.00 0.00 H new TER 1584 GLN A 92